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

C15H19NO — CID 46708124

IUPAC4-methyl-3-pentyl-1H-quinolin-2-one
SMILESCCCCCc1c(C)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H19NO/c1-3-4-5-9-13-11(2)12-8-6-7-10-14(12)16-15(13)17/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyKCQLDXPEZQAACM-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.57
Rot. Bonds4

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

4-methyl-3-pentyl-1H-quinolin-2-one (PubChem CID 46708124) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-methyl-3-pentyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-3-pentyl-1H-quinolin-2-one
PubChem CID46708124
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-methyl-3-pentyl-1H-quinolin-2-one
SMILESCCCCCc1c(C)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H19NO/c1-3-4-5-9-13-11(2)12-8-6-7-10-14(12)16-15(13)17/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyKCQLDXPEZQAACM-UHFFFAOYSA-N
XLogP3.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.57
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 4-methyl-3-pentyl-1H-quinolin-2-one?
The IUPAC name of 4-methyl-3-pentyl-1H-quinolin-2-one (CID 46708124) is 4-methyl-3-pentyl-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-3-pentyl-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-3-pentyl-1H-quinolin-2-one is CCCCCc1c(C)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-methyl-3-pentyl-1H-quinolin-2-one?
The InChIKey is KCQLDXPEZQAACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-4-5-9-13-11(2)12-8-6-7-10-14(12)16-15(13)17/h6-8,10H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-3-pentyl-1H-quinolin-2-one?
4-methyl-3-pentyl-1H-quinolin-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pentyl-1H-quinolin-2-one is sourced from PubChem (CID 46708124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).