3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one

C17H23NO2 — CID 46234527

IUPAC3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one
SMILESCCCCCCCc1c(C)[nH]c2cc(O)ccc2c1=O
InChIInChI=1S/C17H23NO2/c1-3-4-5-6-7-8-14-12(2)18-16-11-13(19)9-10-15(16)17(14)20/h9-11,19H,3-8H2,1-2H3,(H,18,20)
InChIKeyQXYOQRYTQSXZLQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.06
Rot. Bonds6

About 3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one

3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one (PubChem CID 46234527) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one
PubChem CID46234527
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one
SMILESCCCCCCCc1c(C)[nH]c2cc(O)ccc2c1=O
InChIInChI=1S/C17H23NO2/c1-3-4-5-6-7-8-14-12(2)18-16-11-13(19)9-10-15(16)17(14)20/h9-11,19H,3-8H2,1-2H3,(H,18,20)
InChIKeyQXYOQRYTQSXZLQ-UHFFFAOYSA-N
XLogP4.06
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-heptyl-7-hydroxy-2-methyl-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

2-(((E)-3-(4-hydroxyphenyl)prop-2-enoyl)amino)benzoic acid
CID 6443019
Benzamide, N-(3-hydroxyphenyl)-
CID 836140
2(1H)-Quinolone, 7-hydroxy-4-methyl-
CID 5374442
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
1,3-Dihydroxy-10H-acridin-9-one
CID 5467589
Avenanthramide G
CID 12003326
6-methoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 56676627
Anthranilic acid, N-(m-hydroxyphenyl)-
CID 88751
6-fluoro-7-methoxy-2-methyl-3-phenyl-1H-quinolin-4-one
CID 49781241
3-ethyl-6-fluoro-7-methoxy-2-methyl-1H-quinolin-4-one
CID 49781244
6-Methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one
CID 53362157
6-Methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one
CID 53362209

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one (CID 46234527) is 3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one is CCCCCCCc1c(C)[nH]c2cc(O)ccc2c1=O.
What is the InChIKey of 3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one?
The InChIKey is QXYOQRYTQSXZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-4-5-6-7-8-14-12(2)18-16-11-13(19)9-10-15(16)17(14)20/h9-11,19H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one?
3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one has a molecular weight of 273.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 46234527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).