3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one

C19H19NO — CID 104845936

IUPAC3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one
SMILESCCCc1cccc2c(=O)c(C)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C19H19NO/c1-3-8-14-11-7-12-16-18(14)20-17(13(2)19(16)21)15-9-5-4-6-10-15/h4-7,9-12H,3,8H2,1-2H3,(H,20,21)
InChIKeyCCJOTSFFOUYHGG-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.46
Rot. Bonds3

About 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one

3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one (PubChem CID 104845936) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one
PubChem CID104845936
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one
SMILESCCCc1cccc2c(=O)c(C)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C19H19NO/c1-3-8-14-11-7-12-16-18(14)20-17(13(2)19(16)21)15-9-5-4-6-10-15/h4-7,9-12H,3,8H2,1-2H3,(H,20,21)
InChIKeyCCJOTSFFOUYHGG-UHFFFAOYSA-N
XLogP4.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-2-phenyl-8-propyl-1H-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

8-methoxy-3-methyl-2-phenyl-1H-quinolin-4-one
CID 104845886
6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one
CID 104845926
6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one
CID 104845949
5-hydroxy-9-propyl-1H-1-benzazepine-2,3-dione
CID 57128434
N-[2-(7-ethyl-2-phenyl-1H-indol-3-yl)ethyl]acetamide
CID 4715064
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone
CID 15134072
8-propyl-1H-quinolin-2-one
CID 10877864
3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781792
1-nonyl-9H-carbazole
CID 66872642
4-chloro-3-methyl-2-phenyl-8-propylquinoline
CID 104846017
2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4211114

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one (CID 104845936) is 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one is CCCc1cccc2c(=O)c(C)c(-c3ccccc3)[nH]c12.
What is the InChIKey of 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one?
The InChIKey is CCJOTSFFOUYHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-8-14-11-7-12-16-18(14)20-17(13(2)19(16)21)15-9-5-4-6-10-15/h4-7,9-12H,3,8H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one?
3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one has a molecular weight of 277.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one is sourced from PubChem (CID 104845936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).