3PS

4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide

Created:2010-12-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count40
Aromatic Bond Count17
2D diagram of 3PS

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Chemical Component Summary

Name4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide
Systematic Name (OpenEye OEToolkits)4-azanyl-N-(6-methoxypyridin-3-yl)-2-methyl-quinazoline-8-carboxamide
FormulaC16 H15 N5 O2
Molecular Weight309.323
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cnc(OC)cc1)c3c2nc(nc(N)c2ccc3)C
SMILESCACTVS3.370COc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1
SMILESOpenEye OEToolkits1.7.0Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N
Canonical SMILESCACTVS3.370 COc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N
InChIInChI1.03 InChI=1S/C16H15N5O2/c1-9-19-14-11(15(17)20-9)4-3-5-12(14)16(22)21-10-6-7-13(23-2)18-8-10/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)
InChIKeyInChI1.03 IBOOEVQOPIWXHO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 49852677