N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide

C24H20N4O2 — CID 1456521

IUPACN-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1)c1ccncc1
InChIInChI=1S/C24H20N4O2/c29-23(18-10-12-25-13-11-18)26-19-8-9-21-20(14-19)24(30)28(22(27-21)17-6-7-17)15-16-4-2-1-3-5-16/h1-5,8-14,17H,6-7,15H2,(H,26,29)
InChIKeyMNMBATUFYVAASU-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.97
Rot. Bonds5

About N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide

N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide (PubChem CID 1456521) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
PubChem CID1456521
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1)c1ccncc1
InChIInChI=1S/C24H20N4O2/c29-23(18-10-12-25-13-11-18)26-19-8-9-21-20(14-19)24(30)28(22(27-21)17-6-7-17)15-16-4-2-1-3-5-16/h1-5,8-14,17H,6-7,15H2,(H,26,29)
InChIKeyMNMBATUFYVAASU-UHFFFAOYSA-N
XLogP3.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 1456557
N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide
CID 1456550
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]benzamide
CID 1456531
N-[2-benzyl-3-[(3-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-4-chlorobenzamide
CID 3188187
2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 71762525
6-amino-3-[(4-chlorophenyl)methyl]-2-cyclopropylquinazolin-4-one
CID 1456616
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
CID 1174102
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136
N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide
CID 86207422
N-[2-benzyl-3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]furan-2-carboxamide
CID 1174108

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide (CID 1456521) is N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide is O=C(Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1)c1ccncc1.
What is the InChIKey of N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide?
The InChIKey is MNMBATUFYVAASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23(18-10-12-25-13-11-18)26-19-8-9-21-20(14-19)24(30)28(22(27-21)17-6-7-17)15-16-4-2-1-3-5-16/h1-5,8-14,17H,6-7,15H2,(H,26,29).
What are the key properties of N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide?
N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 1456521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).