2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one

C24H20N2O3 — CID 139200512

IUPAC2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one
SMILESCc1ccc(-c2cc(=O)c3cc([N+](=O)[O-])ccc3n2[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c1-16-8-10-19(11-9-16)23-15-24(27)21-14-20(26(28)29)12-13-22(21)25(23)17(2)18-6-4-3-5-7-18/h3-15,17H,1-2H3/t17-/m1/s1
InChIKeyOHJFGZXUXQXGSP-QGZVFWFLSA-N
MW384.44 g/mol
LogP5.49
Rot. Bonds4

About 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one

2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one (PubChem CID 139200512) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one
PubChem CID139200512
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one
SMILESCc1ccc(-c2cc(=O)c3cc([N+](=O)[O-])ccc3n2[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c1-16-8-10-19(11-9-16)23-15-24(27)21-14-20(26(28)29)12-13-22(21)25(23)17(2)18-6-4-3-5-7-18/h3-15,17H,1-2H3/t17-/m1/s1
InChIKeyOHJFGZXUXQXGSP-QGZVFWFLSA-N
XLogP5.49
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-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

3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 22944348
3-amino-7-nitro-1-oxo-2-[(1S)-1-phenylethyl]isoquinoline-4-carbonitrile
CID 6712478
2-(3,6-dinitrocarbazol-9-yl)propanoic acid
CID 54237838
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
1-(4-nitrophenyl)-2-phenylquinolin-4-one
CID 44632197
4-[2-(1-benzhydryl-2-methyl-5-nitroindol-3-yl)ethoxy]benzoic acid
CID 11519043
2,4-dimethyl-7-(4-nitrophenyl)-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione
CID 40908004
2,4-dimethyl-7-(4-nitrophenyl)-6-[(1S)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione
CID 40908003
2-(5-nitro-2-phenylindol-1-yl)butanoic acid
CID 67285037
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
9-benzyl-3,6-dinitrocarbazole
CID 5059102
3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one?
The IUPAC name of 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one (CID 139200512) is 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one is Cc1ccc(-c2cc(=O)c3cc([N+](=O)[O-])ccc3n2[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one?
The InChIKey is OHJFGZXUXQXGSP-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16-8-10-19(11-9-16)23-15-24(27)21-14-20(26(28)29)12-13-22(21)25(23)17(2)18-6-4-3-5-7-18/h3-15,17H,1-2H3/t17-/m1/s1.
What are the key properties of 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one?
2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one has a molecular weight of 384.44 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-nitro-1-[(1R)-1-phenylethyl]quinolin-4-one is sourced from PubChem (CID 139200512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).