1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

C19H14N2O3 — CID 2857782

IUPAC1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H14N2O3/c22-18-11-16(13-5-3-6-14(10-13)21(23)24)19-15-7-2-1-4-12(15)8-9-17(19)20-18/h1-10,16H,11H2,(H,20,22)
InChIKeyOULQVGXMYCRFAL-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.22
Rot. Bonds2

About 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 2857782) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID2857782
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H14N2O3/c22-18-11-16(13-5-3-6-14(10-13)21(23)24)19-15-7-2-1-4-12(15)8-9-17(19)20-18/h1-10,16H,11H2,(H,20,22)
InChIKeyOULQVGXMYCRFAL-UHFFFAOYSA-N
XLogP4.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.22
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'}

Analyze 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2916903
4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 3527771
6,7-dimethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2939263
6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17060731
(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673088
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146
2,2-dimethyl-5-(3-nitrophenyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
CID 2833872
4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620940
5-(3-nitrophenyl)-3-propan-2-yl-2-sulfanylidene-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 175073464

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 2857782) is 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is O=C1CC(c2cccc([N+](=O)[O-])c2)c2c(ccc3ccccc23)N1.
What is the InChIKey of 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is OULQVGXMYCRFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-18-11-16(13-5-3-6-14(10-13)21(23)24)19-15-7-2-1-4-12(15)8-9-17(19)20-18/h1-10,16H,11H2,(H,20,22).
What are the key properties of 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 318.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 2857782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).