6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one

C17H16N2O3 — CID 2916903

IUPAC6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1cccc([N+](=O)[O-])c1)CC(=O)N2
InChIInChI=1S/C17H16N2O3/c1-10-6-15-14(9-17(20)18-16(15)7-11(10)2)12-4-3-5-13(8-12)19(21)22/h3-8,14H,9H2,1-2H3,(H,18,20)
InChIKeyQAUKYGUCLDVAMS-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.69
Rot. Bonds2

About 6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one

6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2916903) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID2916903
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1cccc([N+](=O)[O-])c1)CC(=O)N2
InChIInChI=1S/C17H16N2O3/c1-10-6-15-14(9-17(20)18-16(15)7-11(10)2)12-4-3-5-13(8-12)19(21)22/h3-8,14H,9H2,1-2H3,(H,18,20)
InChIKeyQAUKYGUCLDVAMS-UHFFFAOYSA-N
XLogP3.69
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

6,7-dimethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2939263
4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 3527771
6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17060731
(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 673218
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363
1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2857782
methyl (4S)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 772402
9-(4-methyl-3-nitrophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2972968
6,7-diethoxy-4-(4-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312443
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
2-ethylsulfanylethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17060745
[(2R)-butan-2-yl] (4R)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 27516774

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one (CID 2916903) is 6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1C)C(c1cccc([N+](=O)[O-])c1)CC(=O)N2.
What is the InChIKey of 6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QAUKYGUCLDVAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-6-15-14(9-17(20)18-16(15)7-11(10)2)12-4-3-5-13(8-12)19(21)22/h3-8,14H,9H2,1-2H3,(H,18,20).
What are the key properties of 6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 296.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2916903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).