N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide

C24H19N3O5 — CID 4903800

IUPACN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide
SMILESCOc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c3ccccc3c2=O)c1
InChIInChI=1S/C24H19N3O5/c1-26-20-12-4-3-11-19(20)22(28)21(15-7-6-10-18(14-15)32-2)23(26)25-24(29)16-8-5-9-17(13-16)27(30)31/h3-14H,1-2H3,(H,25,29)
InChIKeyNQHWNQWYIJNGIO-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.37
Rot. Bonds5

About N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide

N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide (PubChem CID 4903800) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide
PubChem CID4903800
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC NameN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide
SMILESCOc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c3ccccc3c2=O)c1
InChIInChI=1S/C24H19N3O5/c1-26-20-12-4-3-11-19(20)22(28)21(15-7-6-10-18(14-15)32-2)23(26)25-24(29)16-8-5-9-17(13-16)27(30)31/h3-14H,1-2H3,(H,25,29)
InChIKeyNQHWNQWYIJNGIO-UHFFFAOYSA-N
XLogP4.37
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4907437
4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 16957143
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
CID 4901307
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide
CID 16957144
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
CID 4870056
N-[6-chloro-3-(3-methoxyphenyl)-4-oxochromen-2-yl]-3-nitrobenzamide
CID 4900106
N-[3-(4-methoxyphenyl)-8-methyl-4-oxochromen-2-yl]-3-nitrobenzamide
CID 16957094
4-tert-butyl-N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4903336
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121
N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide
CID 51092432
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-3-nitrobenzamide
CID 110506789
3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4992628

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide (CID 4903800) is N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide is COc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c3ccccc3c2=O)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide?
The InChIKey is NQHWNQWYIJNGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-26-20-12-4-3-11-19(20)22(28)21(15-7-6-10-18(14-15)32-2)23(26)25-24(29)16-8-5-9-17(13-16)27(30)31/h3-14H,1-2H3,(H,25,29).
What are the key properties of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide?
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide has a molecular weight of 429.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide is sourced from PubChem (CID 4903800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).