2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide

C19H17N3O4 — CID 39768144

IUPAC2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2c(C)cccc12
InChIInChI=1S/C19H17N3O4/c1-12-5-3-8-16-13(2)9-18(24)21(19(12)16)11-17(23)20-14-6-4-7-15(10-14)22(25)26/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyOGFMKACBMIJOBM-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.17
Rot. Bonds4

About 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide

2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 39768144) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide
PubChem CID39768144
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2c(C)cccc12
InChIInChI=1S/C19H17N3O4/c1-12-5-3-8-16-13(2)9-18(24)21(19(12)16)11-17(23)20-14-6-4-7-15(10-14)22(25)26/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyOGFMKACBMIJOBM-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 39768110
N-phenyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768322
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8726302
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-nitrophenyl)acetamide
CID 41157780
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide
CID 38113149
N-(4-chlorophenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
CID 46302523
N-(3-nitrophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410167
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide (CID 39768144) is 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide is Cc1cc(=O)n(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2c(C)cccc12.
What is the InChIKey of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is OGFMKACBMIJOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-5-3-8-16-13(2)9-18(24)21(19(12)16)11-17(23)20-14-6-4-7-15(10-14)22(25)26/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide?
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 351.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 39768144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).