2-undecyl-1H-quinolin-4-one

C20H29NO — CID 10063343

IUPAC2-undecyl-1H-quinolin-4-one
SMILESCCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)
InChIKeyKKSIGOUTTVXAKQ-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.60
Rot. Bonds10

About 2-undecyl-1H-quinolin-4-one

2-undecyl-1H-quinolin-4-one (PubChem CID 10063343) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-undecyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-undecyl-1H-quinolin-4-one
PubChem CID10063343
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name2-undecyl-1H-quinolin-4-one
SMILESCCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)
InChIKeyKKSIGOUTTVXAKQ-UHFFFAOYSA-N
XLogP5.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.60
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-undecyl-1H-quinolin-4-one?
The IUPAC name of 2-undecyl-1H-quinolin-4-one (CID 10063343) is 2-undecyl-1H-quinolin-4-one.
What is the SMILES notation for 2-undecyl-1H-quinolin-4-one?
The canonical SMILES for 2-undecyl-1H-quinolin-4-one is CCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-undecyl-1H-quinolin-4-one?
The InChIKey is KKSIGOUTTVXAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22).
What are the key properties of 2-undecyl-1H-quinolin-4-one?
2-undecyl-1H-quinolin-4-one has a molecular weight of 299.46 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyl-1H-quinolin-4-one is sourced from PubChem (CID 10063343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).