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

C17H23NO — CID 599666

IUPAC2-heptyl-3-methyl-1H-quinolin-4-one
SMILESCCCCCCCc1[nH]c2ccccc2c(=O)c1C
InChIInChI=1S/C17H23NO/c1-3-4-5-6-7-11-15-13(2)17(19)14-10-8-9-12-16(14)18-15/h8-10,12H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyJMNXQKCZLWIUSQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.35
Rot. Bonds6

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

2-heptyl-3-methyl-1H-quinolin-4-one (PubChem CID 599666) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-heptyl-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-heptyl-3-methyl-1H-quinolin-4-one
PubChem CID599666
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-heptyl-3-methyl-1H-quinolin-4-one
SMILESCCCCCCCc1[nH]c2ccccc2c(=O)c1C
InChIInChI=1S/C17H23NO/c1-3-4-5-6-7-11-15-13(2)17(19)14-10-8-9-12-16(14)18-15/h8-10,12H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyJMNXQKCZLWIUSQ-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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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-heptyl-3-methyl-1H-quinolin-4-one (CID 599666) is 2-heptyl-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-heptyl-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-heptyl-3-methyl-1H-quinolin-4-one is CCCCCCCc1[nH]c2ccccc2c(=O)c1C.
What is the InChIKey of 2-heptyl-3-methyl-1H-quinolin-4-one?
The InChIKey is JMNXQKCZLWIUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-4-5-6-7-11-15-13(2)17(19)14-10-8-9-12-16(14)18-15/h8-10,12H,3-7,11H2,1-2H3,(H,18,19).
What are the key properties of 2-heptyl-3-methyl-1H-quinolin-4-one?
2-heptyl-3-methyl-1H-quinolin-4-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 2-heptyl-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 599666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).