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

C17H23NO — CID 70126082

IUPAC3-heptyl-4-methyl-1H-quinolin-2-one
SMILESCCCCCCCc1c(C)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H23NO/c1-3-4-5-6-7-11-15-13(2)14-10-8-9-12-16(14)18-17(15)19/h8-10,12H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyAITPUHRJTZZEJZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.35
Rot. Bonds6

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

3-heptyl-4-methyl-1H-quinolin-2-one (PubChem CID 70126082) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-heptyl-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-heptyl-4-methyl-1H-quinolin-2-one
PubChem CID70126082
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-heptyl-4-methyl-1H-quinolin-2-one
SMILESCCCCCCCc1c(C)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H23NO/c1-3-4-5-6-7-11-15-13(2)14-10-8-9-12-16(14)18-17(15)19/h8-10,12H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyAITPUHRJTZZEJZ-UHFFFAOYSA-N
XLogP4.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one
CID 70124013
3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one
CID 3117151
2-tert-butyl-3-pentyl-1H-indole
CID 121472314
2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-1H-quinolin-4-one
CID 172676765
2-amino-3-butyl-1H-quinolin-4-one
CID 46708036
3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
CID 174731856
6-amino-4-methyl-3-propyl-1H-quinolin-2-one
CID 118872268
3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
10-octylanthracen-9-amine
CID 87887624
1-heptyl-3-methoxy-2-methyl-9H-carbazole
CID 3071880

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-4-methyl-1H-quinolin-2-one?
The IUPAC name of 3-heptyl-4-methyl-1H-quinolin-2-one (CID 70126082) is 3-heptyl-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-heptyl-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-heptyl-4-methyl-1H-quinolin-2-one is CCCCCCCc1c(C)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-heptyl-4-methyl-1H-quinolin-2-one?
The InChIKey is AITPUHRJTZZEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-4-5-6-7-11-15-13(2)14-10-8-9-12-16(14)18-17(15)19/h8-10,12H,3-7,11H2,1-2H3,(H,18,19).
What are the key properties of 3-heptyl-4-methyl-1H-quinolin-2-one?
3-heptyl-4-methyl-1H-quinolin-2-one has a molecular weight of 257.38 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 70126082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).