3-methyl-2-pentyl-1-phenylquinolin-4-one

C21H23NO — CID 139115439

IUPAC3-methyl-2-pentyl-1-phenylquinolin-4-one
SMILESCCCCCc1c(C)c(=O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C21H23NO/c1-3-4-6-14-19-16(2)21(23)18-13-9-10-15-20(18)22(19)17-11-7-5-8-12-17/h5,7-13,15H,3-4,6,14H2,1-2H3
InChIKeyNJXFZGCONUSJQI-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.03
Rot. Bonds5

About 3-methyl-2-pentyl-1-phenylquinolin-4-one

3-methyl-2-pentyl-1-phenylquinolin-4-one (PubChem CID 139115439) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-methyl-2-pentyl-1-phenylquinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-pentyl-1-phenylquinolin-4-one
PubChem CID139115439
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-methyl-2-pentyl-1-phenylquinolin-4-one
SMILESCCCCCc1c(C)c(=O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C21H23NO/c1-3-4-6-14-19-16(2)21(23)18-13-9-10-15-20(18)22(19)17-11-7-5-8-12-17/h5,7-13,15H,3-4,6,14H2,1-2H3
InChIKeyNJXFZGCONUSJQI-UHFFFAOYSA-N
XLogP5.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butyl-4-chloro-1-phenylquinolin-2-one
CID 139216420
1,3-dimethyl-2-tridecylindole
CID 122371242
10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione
CID 7678744
2-heptyl-1-methyl-3-[(E)-2-phenylethenyl]quinolin-4-one
CID 102053069
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
CID 110273136
2-(3-methyl-1-phenylindol-2-yl)acetonitrile
CID 23457308
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
6-heptyl-3-methyl-1,2-diphenylpyridin-4-one
CID 14621388
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
1-phenyl-2-tridecylbenzimidazole
CID 24821367
1-(9-phenylcarbazol-3-yl)pentan-1-one
CID 140927753

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pentyl-1-phenylquinolin-4-one?
The IUPAC name of 3-methyl-2-pentyl-1-phenylquinolin-4-one (CID 139115439) is 3-methyl-2-pentyl-1-phenylquinolin-4-one.
What is the SMILES notation for 3-methyl-2-pentyl-1-phenylquinolin-4-one?
The canonical SMILES for 3-methyl-2-pentyl-1-phenylquinolin-4-one is CCCCCc1c(C)c(=O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-methyl-2-pentyl-1-phenylquinolin-4-one?
The InChIKey is NJXFZGCONUSJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-4-6-14-19-16(2)21(23)18-13-9-10-15-20(18)22(19)17-11-7-5-8-12-17/h5,7-13,15H,3-4,6,14H2,1-2H3.
What are the key properties of 3-methyl-2-pentyl-1-phenylquinolin-4-one?
3-methyl-2-pentyl-1-phenylquinolin-4-one has a molecular weight of 305.42 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pentyl-1-phenylquinolin-4-one is sourced from PubChem (CID 139115439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).