1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one

C21H29NO — CID 50994738

IUPAC1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one
SMILESCCCCCCCCC/C=C/c1cc(=O)c2ccccc2n1C
InChIInChI=1S/C21H29NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h11-17H,3-10H2,1-2H3/b14-11+
InChIKeyISESIZUJJSXHKH-SDNWHVSQSA-N
MW311.47 g/mol
LogP5.69
Rot. Bonds9

About 1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one

1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one (PubChem CID 50994738) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one
PubChem CID50994738
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one
SMILESCCCCCCCCC/C=C/c1cc(=O)c2ccccc2n1C
InChIInChI=1S/C21H29NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h11-17H,3-10H2,1-2H3/b14-11+
InChIKeyISESIZUJJSXHKH-SDNWHVSQSA-N
XLogP5.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.69
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 1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one?
The IUPAC name of 1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one (CID 50994738) is 1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one.
What is the SMILES notation for 1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one?
The canonical SMILES for 1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one is CCCCCCCCC/C=C/c1cc(=O)c2ccccc2n1C.
What is the InChIKey of 1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one?
The InChIKey is ISESIZUJJSXHKH-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H29NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h11-17H,3-10H2,1-2H3/b14-11+.
What are the key properties of 1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one?
1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one has a molecular weight of 311.47 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one is sourced from PubChem (CID 50994738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).