2-nonyl-3H-quinolin-4-one

C18H25NO — CID 126421925

IUPAC2-nonyl-3H-quinolin-4-one
SMILESCCCCCCCCCC1=Nc2ccccc2C(=O)C1
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-13H,2-8,11,14H2,1H3
InChIKeyGEKPVLASKAWWBZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP5.49
Rot. Bonds8

About 2-nonyl-3H-quinolin-4-one

2-nonyl-3H-quinolin-4-one (PubChem CID 126421925) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-nonyl-3H-quinolin-4-one.

Molecular Properties

Compound Name2-nonyl-3H-quinolin-4-one
PubChem CID126421925
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-nonyl-3H-quinolin-4-one
SMILESCCCCCCCCCC1=Nc2ccccc2C(=O)C1
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-13H,2-8,11,14H2,1H3
InChIKeyGEKPVLASKAWWBZ-UHFFFAOYSA-N
XLogP5.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.49
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-nonyl-3H-quinolin-4-one?
The IUPAC name of 2-nonyl-3H-quinolin-4-one (CID 126421925) is 2-nonyl-3H-quinolin-4-one.
What is the SMILES notation for 2-nonyl-3H-quinolin-4-one?
The canonical SMILES for 2-nonyl-3H-quinolin-4-one is CCCCCCCCCC1=Nc2ccccc2C(=O)C1.
What is the InChIKey of 2-nonyl-3H-quinolin-4-one?
The InChIKey is GEKPVLASKAWWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-13H,2-8,11,14H2,1H3.
What are the key properties of 2-nonyl-3H-quinolin-4-one?
2-nonyl-3H-quinolin-4-one has a molecular weight of 271.40 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-3H-quinolin-4-one is sourced from PubChem (CID 126421925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).