8BQ

7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one

Created:	2015-04-09
Last modified:	2016-04-13

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1 entries where 8BQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	2
Bond Count	44
Aromatic Bond Count	12

2D diagram of 8BQ

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Chemical Component Summary
Name	7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one
Formula	C₁₉ H₁₆ F N₃ O₂
Molecular Weight	337.348
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Fc1cccc(c1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4c3
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)F)C(=O)C2CNCC2c3ccc4c(c3)N=CNC4=O
Canonical SMILES	CACTVS	3.385	Fc1cccc(c1)C(=O)[C@H]2CNC[C@@H]2c3ccc4C(=O)NC=Nc4c3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)F)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O
InChI	InChI	1.03	InChI=1S/C19H16FN3O2/c20-13-3-1-2-12(6-13)18(24)16-9-21-8-15(16)11-4-5-14-17(7-11)22-10-23-19(14)25/h1-7,10,15-16,21H,8-9H2,(H,22,23,25)/t15-,16+/m1/s1
InChIKey	InChI	1.03	POKNNHZYSUAARX-CVEARBPZSA-N

Related Resource References

Resource Name	Reference
PubChem	135566978, 118986994

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