1-hexyl-3,4-dihydroquinolin-2-one

C15H21NO — CID 91805726

IUPAC1-hexyl-3,4-dihydroquinolin-2-one
SMILESCCCCCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C15H21NO/c1-2-3-4-7-12-16-14-9-6-5-8-13(14)10-11-15(16)17/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyJWRBVRPMGGXOAY-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.55
Rot. Bonds5

About 1-hexyl-3,4-dihydroquinolin-2-one

1-hexyl-3,4-dihydroquinolin-2-one (PubChem CID 91805726) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-hexyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-hexyl-3,4-dihydroquinolin-2-one
PubChem CID91805726
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-hexyl-3,4-dihydroquinolin-2-one
SMILESCCCCCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C15H21NO/c1-2-3-4-7-12-16-14-9-6-5-8-13(14)10-11-15(16)17/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyJWRBVRPMGGXOAY-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
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 1-hexyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-hexyl-3,4-dihydroquinolin-2-one (CID 91805726) is 1-hexyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-hexyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-hexyl-3,4-dihydroquinolin-2-one is CCCCCCN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-hexyl-3,4-dihydroquinolin-2-one?
The InChIKey is JWRBVRPMGGXOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-4-7-12-16-14-9-6-5-8-13(14)10-11-15(16)17/h5-6,8-9H,2-4,7,10-12H2,1H3.
What are the key properties of 1-hexyl-3,4-dihydroquinolin-2-one?
1-hexyl-3,4-dihydroquinolin-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 91805726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).