N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide

C23H18N4O5 — CID 23989138

IUPACN-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide
SMILESCOc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1
InChIInChI=1S/C23H18N4O5/c1-14-12-16(10-11-20(14)27(30)31)22(28)25-26-21(15-6-5-7-17(13-15)32-2)24-19-9-4-3-8-18(19)23(26)29/h3-13H,1-2H3,(H,25,28)
InChIKeyUZHMWKUNZYKOJS-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide

N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide (PubChem CID 23989138) has the molecular formula C23H18N4O5 and a molecular weight of 430.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide
PubChem CID23989138
Molecular FormulaC23H18N4O5
Molecular Weight430.42 g/mol
Exact Mass430.13
IUPAC NameN-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide
SMILESCOc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1
InChIInChI=1S/C23H18N4O5/c1-14-12-16(10-11-20(14)27(30)31)22(28)25-26-21(15-6-5-7-17(13-15)32-2)24-19-9-4-3-8-18(19)23(26)29/h3-13H,1-2H3,(H,25,28)
InChIKeyUZHMWKUNZYKOJS-UHFFFAOYSA-N
XLogP3.67
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23994102
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23851582
2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737712
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23881942
4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737747
3-methoxy-N-[5-(3-nitrophenyl)-7-oxo-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-6-yl]benzamide
CID 142699429
N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide
CID 2545082
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
CID 1100251
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571
3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
CID 23907241

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide (CID 23989138) is N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide is COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide?
The InChIKey is UZHMWKUNZYKOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O5/c1-14-12-16(10-11-20(14)27(30)31)22(28)25-26-21(15-6-5-7-17(13-15)32-2)24-19-9-4-3-8-18(19)23(26)29/h3-13H,1-2H3,(H,25,28).
What are the key properties of N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide?
N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide has a molecular weight of 430.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 23989138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).