1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one

C21H29NO — CID 5319809

IUPAC1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one
SMILESCCCCC/C=C\CCCCc1cc(=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/h7-8,12-13,15-17H,3-6,9-11,14H2,1-2H3/b8-7-
InChIKeyJWKBGGZMJGQAIK-FPLPWBNLSA-N
MW311.47 g/mol
LogP5.39
Rot. Bonds9

About 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one

1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one (PubChem CID 5319809) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one
PubChem CID5319809
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one
SMILESCCCCC/C=C\CCCCc1cc(=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/h7-8,12-13,15-17H,3-6,9-11,14H2,1-2H3/b8-7-
InChIKeyJWKBGGZMJGQAIK-FPLPWBNLSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one?
The IUPAC name of 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one (CID 5319809) is 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one.
What is the SMILES notation for 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one?
The canonical SMILES for 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one is CCCCC/C=C\CCCCc1cc(=O)c2ccccc2n1C.
What is the InChIKey of 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one?
The InChIKey is JWKBGGZMJGQAIK-FPLPWBNLSA-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/h7-8,12-13,15-17H,3-6,9-11,14H2,1-2H3/b8-7-.
What are the key properties of 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one?
1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one has a molecular weight of 311.47 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one is sourced from PubChem (CID 5319809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).