1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide

C19H17N3O4 — CID 30131946

IUPAC1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(=O)c2ccccc21
InChIInChI=1S/C19H17N3O4/c1-3-21-11-14(18(23)13-7-4-5-9-17(13)21)19(24)20-15-8-6-10-16(12(15)2)22(25)26/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeyRWRPWFYOYLVHTG-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.49
Rot. Bonds4

About 1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide

1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide (PubChem CID 30131946) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide
PubChem CID30131946
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(=O)c2ccccc21
InChIInChI=1S/C19H17N3O4/c1-3-21-11-14(18(23)13-7-4-5-9-17(13)21)19(24)20-15-8-6-10-16(12(15)2)22(25)26/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeyRWRPWFYOYLVHTG-UHFFFAOYSA-N
XLogP3.49
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methyl-3-nitrophenyl)-1-oxoisochromene-4-carboxamide
CID 4183426
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide
CID 53359987
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26737786
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
1-(2,3-dimethylphenyl)-3-(1-ethylindol-3-yl)urea
CID 40519720
1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide
CID 71597983
(2-methyl-3-nitrophenyl)urea
CID 22416531
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 60548874
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9394683

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide (CID 30131946) is 1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is RWRPWFYOYLVHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-3-21-11-14(18(23)13-7-4-5-9-17(13)21)19(24)20-15-8-6-10-16(12(15)2)22(25)26/h4-11H,3H2,1-2H3,(H,20,24).
What are the key properties of 1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide?
1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30131946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).