N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide

C26H21N3O3 — CID 40665128

IUPACN-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide
SMILESCOc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc45)nc3C2)cc1
InChIInChI=1S/C26H21N3O3/c1-32-19-11-9-16(10-12-19)18-13-23-22(24(30)14-18)15-27-26(28-23)29-25(31)21-8-4-6-17-5-2-3-7-20(17)21/h2-12,15,18H,13-14H2,1H3,(H,27,28,29,31)/t18-/m0/s1
InChIKeyNFEMOVHJNFLYLQ-SFHVURJKSA-N
MW423.47 g/mol
LogP4.80
Rot. Bonds4

About N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide

N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide (PubChem CID 40665128) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide
PubChem CID40665128
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC NameN-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide
SMILESCOc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc45)nc3C2)cc1
InChIInChI=1S/C26H21N3O3/c1-32-19-11-9-16(10-12-19)18-13-23-22(24(30)14-18)15-27-26(28-23)29-25(31)21-8-4-6-17-5-2-3-7-20(17)21/h2-12,15,18H,13-14H2,1H3,(H,27,28,29,31)/t18-/m0/s1
InChIKeyNFEMOVHJNFLYLQ-SFHVURJKSA-N
XLogP4.80
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3139680
N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide
CID 5164971
2-methyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 7354569
2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
CID 7354512
3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 5174165
2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 40968935
2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 3887888
N-[(7S)-7-(4-tert-butylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2044089
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1415093
N-[(7R)-7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3-methylbenzamide
CID 2021715
3-chloro-N-[(7R)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2016919
N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
CID 940577

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide (CID 40665128) is N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide is COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc45)nc3C2)cc1.
What is the InChIKey of N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide?
The InChIKey is NFEMOVHJNFLYLQ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-32-19-11-9-16(10-12-19)18-13-23-22(24(30)14-18)15-27-26(28-23)29-25(31)21-8-4-6-17-5-2-3-7-20(17)21/h2-12,15,18H,13-14H2,1H3,(H,27,28,29,31)/t18-/m0/s1.
What are the key properties of N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide?
N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 40665128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).