4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

C18H15NO — CID 101385220

IUPAC4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCN1C=CC(=CC=C2C=CC(=O)C=C2)c2ccccc21
InChIInChI=1S/C18H15NO/c1-19-13-12-15(17-4-2-3-5-18(17)19)9-6-14-7-10-16(20)11-8-14/h2-13H,1H3
InChIKeyUNNQCBSNJPSJHQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.65
Rot. Bonds1

About 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (PubChem CID 101385220) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
PubChem CID101385220
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCN1C=CC(=CC=C2C=CC(=O)C=C2)c2ccccc21
InChIInChI=1S/C18H15NO/c1-19-13-12-15(17-4-2-3-5-18(17)19)9-6-14-7-10-16(20)11-8-14/h2-13H,1H3
InChIKeyUNNQCBSNJPSJHQ-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 58082024
4-[2-(1-octadecylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 100982111
4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101346222
4-[2-(1-methyl-1H-quinolin-1-ium-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101385219
5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one
CID 6803592
5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide
CID 154734819
(4E)-4-[(2E)-5,5-bis(trifluoromethylsulfonyl)penta-2,4-dienylidene]-1-methylquinoline
CID 87847399
2-[(5Z)-5-[(2E)-2-(1-methylquinolin-4-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethylphosphonic acid
CID 59886039
ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 91278460
5-methylbenzo[d][1]benzazepine
CID 67174397
10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid
CID 154266016
(4Z)-1-methyl-4-[(E)-3-(1-methylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline chloride
CID 54603222

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (CID 101385220) is 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is CN1C=CC(=CC=C2C=CC(=O)C=C2)c2ccccc21.
What is the InChIKey of 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is UNNQCBSNJPSJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-19-13-12-15(17-4-2-3-5-18(17)19)9-6-14-7-10-16(20)11-8-14/h2-13H,1H3.
What are the key properties of 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 261.32 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 101385220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).