1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone

C18H14N2O3 — CID 766187

IUPAC1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1
InChIInChI=1S/C18H14N2O3/c1-11-17(12(2)21)18(13-6-4-3-5-7-13)15-10-14(20(22)23)8-9-16(15)19-11/h3-10H,1-2H3
InChIKeyOZIPPSXNVGKKDG-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.32
Rot. Bonds3

About 1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone

1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone (PubChem CID 766187) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone
PubChem CID766187
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1
InChIInChI=1S/C18H14N2O3/c1-11-17(12(2)21)18(13-6-4-3-5-7-13)15-10-14(20(22)23)8-9-16(15)19-11/h3-10H,1-2H3
InChIKeyOZIPPSXNVGKKDG-UHFFFAOYSA-N
XLogP4.32
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone (CID 766187) is 1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone is CC(=O)c1c(C)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1.
What is the InChIKey of 1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone?
The InChIKey is OZIPPSXNVGKKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-17(12(2)21)18(13-6-4-3-5-7-13)15-10-14(20(22)23)8-9-16(15)19-11/h3-10H,1-2H3.
What are the key properties of 1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone?
1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone has a molecular weight of 306.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-nitro-4-phenylquinolin-3-yl)ethanone is sourced from PubChem (CID 766187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).