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

C14H17NO — CID 174610800

IUPAC2-pentyl-2H-quinolin-3-one
SMILESCCCCCC1N=c2ccccc2=CC1=O
InChIInChI=1S/C14H17NO/c1-2-3-4-9-13-14(16)10-11-7-5-6-8-12(11)15-13/h5-8,10,13H,2-4,9H2,1H3
InChIKeyYOAJCAKSKLDYDG-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.62
Rot. Bonds4

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

2-pentyl-2H-quinolin-3-one (PubChem CID 174610800) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-pentyl-2H-quinolin-3-one.

Molecular Properties

Compound Name2-pentyl-2H-quinolin-3-one
PubChem CID174610800
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-pentyl-2H-quinolin-3-one
SMILESCCCCCC1N=c2ccccc2=CC1=O
InChIInChI=1S/C14H17NO/c1-2-3-4-9-13-14(16)10-11-7-5-6-8-12(11)15-13/h5-8,10,13H,2-4,9H2,1H3
InChIKeyYOAJCAKSKLDYDG-UHFFFAOYSA-N
XLogP1.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pentyl-2H-quinolin-3-one?
The IUPAC name of 2-pentyl-2H-quinolin-3-one (CID 174610800) is 2-pentyl-2H-quinolin-3-one.
What is the SMILES notation for 2-pentyl-2H-quinolin-3-one?
The canonical SMILES for 2-pentyl-2H-quinolin-3-one is CCCCCC1N=c2ccccc2=CC1=O.
What is the InChIKey of 2-pentyl-2H-quinolin-3-one?
The InChIKey is YOAJCAKSKLDYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-4-9-13-14(16)10-11-7-5-6-8-12(11)15-13/h5-8,10,13H,2-4,9H2,1H3.
What are the key properties of 2-pentyl-2H-quinolin-3-one?
2-pentyl-2H-quinolin-3-one has a molecular weight of 215.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-2H-quinolin-3-one is sourced from PubChem (CID 174610800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).