N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide

C25H22N4O3 — CID 1456557

IUPACN-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4cccnc4)cc3c2=O)cc1
InChIInChI=1S/C25H22N4O3/c1-32-20-9-4-16(5-10-20)15-29-23(17-6-7-17)28-22-11-8-19(13-21(22)25(29)31)27-24(30)18-3-2-12-26-14-18/h2-5,8-14,17H,6-7,15H2,1H3,(H,27,30)
InChIKeyYKCILYLPGRDSKO-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.98
Rot. Bonds6

About N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide

N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide (PubChem CID 1456557) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
PubChem CID1456557
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4cccnc4)cc3c2=O)cc1
InChIInChI=1S/C25H22N4O3/c1-32-20-9-4-16(5-10-20)15-29-23(17-6-7-17)28-22-11-8-19(13-21(22)25(29)31)27-24(30)18-3-2-12-26-14-18/h2-5,8-14,17H,6-7,15H2,1H3,(H,27,30)
InChIKeyYKCILYLPGRDSKO-UHFFFAOYSA-N
XLogP3.98
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide
CID 1456550
N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
CID 1456521
N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456638
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136
2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 71762525
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 78150574
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 30867406
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide
CID 75490458
3-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24747964

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide (CID 1456557) is N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide is COc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4cccnc4)cc3c2=O)cc1.
What is the InChIKey of N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide?
The InChIKey is YKCILYLPGRDSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-32-20-9-4-16(5-10-20)15-29-23(17-6-7-17)28-22-11-8-19(13-21(22)25(29)31)27-24(30)18-3-2-12-26-14-18/h2-5,8-14,17H,6-7,15H2,1H3,(H,27,30).
What are the key properties of N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide?
N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1456557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).