6-pentyl-3H-quinolin-2-one

C14H17NO — CID 57014668

IUPAC6-pentyl-3H-quinolin-2-one
SMILESCCCCCc1ccc2c(c1)=CCC(=O)N=2
InChIInChI=1S/C14H17NO/c1-2-3-4-5-11-6-8-13-12(10-11)7-9-14(16)15-13/h6-8,10H,2-5,9H2,1H3
InChIKeyRZUAXDLNRPPULR-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.75
Rot. Bonds4

About 6-pentyl-3H-quinolin-2-one

6-pentyl-3H-quinolin-2-one (PubChem CID 57014668) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-pentyl-3H-quinolin-2-one.

Molecular Properties

Compound Name6-pentyl-3H-quinolin-2-one
PubChem CID57014668
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-pentyl-3H-quinolin-2-one
SMILESCCCCCc1ccc2c(c1)=CCC(=O)N=2
InChIInChI=1S/C14H17NO/c1-2-3-4-5-11-6-8-13-12(10-11)7-9-14(16)15-13/h6-8,10H,2-5,9H2,1H3
InChIKeyRZUAXDLNRPPULR-UHFFFAOYSA-N
XLogP1.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-pentyl-3H-quinolin-2-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

2,3-Dihydroquinolinone
CID 56625474
3-fluoro-3H-quinolin-2-one
CID 119086068
7-n-Heptylquinoline quinone
CID 129777590
3-fluoro-4-methylquinolin-2(3H)-one
CID 71650944
(3R)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032449
(3S)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032450
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 12504459
6,7-Diethyl-2,3-quinoxalinedione
CID 21190036
4,7-dimethyl-6H-quinolin-2-one
CID 56633878
6-chloro-3-methyl-3H-quinolin-2-one
CID 57222718
3-propyl-8aH-isoquinolin-1-one
CID 57240393
13-Azatricyclo[8.3.1.02,7]tetradeca-1(13),2(7),8,10(14)-tetraen-12-one
CID 68201186

Frequently Asked Questions

What is the IUPAC name of 6-pentyl-3H-quinolin-2-one?
The IUPAC name of 6-pentyl-3H-quinolin-2-one (CID 57014668) is 6-pentyl-3H-quinolin-2-one.
What is the SMILES notation for 6-pentyl-3H-quinolin-2-one?
The canonical SMILES for 6-pentyl-3H-quinolin-2-one is CCCCCc1ccc2c(c1)=CCC(=O)N=2.
What is the InChIKey of 6-pentyl-3H-quinolin-2-one?
The InChIKey is RZUAXDLNRPPULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-4-5-11-6-8-13-12(10-11)7-9-14(16)15-13/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 6-pentyl-3H-quinolin-2-one?
6-pentyl-3H-quinolin-2-one has a molecular weight of 215.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-3H-quinolin-2-one is sourced from PubChem (CID 57014668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).