6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride

C19H18ClN3O — CID 146055704

IUPAC6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
SMILESCCc1ccc2ncc(C#N)c(Nc3cccc(OC)c3)c2c1.Cl
InChIInChI=1S/C19H17N3O.ClH/c1-3-13-7-8-18-17(9-13)19(14(11-20)12-21-18)22-15-5-4-6-16(10-15)23-2;/h4-10,12H,3H2,1-2H3,(H,21,22);1H
InChIKeyQASQQJPEPFJZKF-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.84
Rot. Bonds4

About 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride

6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride (PubChem CID 146055704) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
PubChem CID146055704
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
SMILESCCc1ccc2ncc(C#N)c(Nc3cccc(OC)c3)c2c1.Cl
InChIInChI=1S/C19H17N3O.ClH/c1-3-13-7-8-18-17(9-13)19(14(11-20)12-21-18)22-15-5-4-6-16(10-15)23-2;/h4-10,12H,3H2,1-2H3,(H,21,22);1H
InChIKeyQASQQJPEPFJZKF-UHFFFAOYSA-N
XLogP4.84
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride 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

6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride
CID 146055732
4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
CID 45283835
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
6-ethyl-4-hydrazinylquinoline-3-carbonitrile
CID 62251966
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
4-(3-ethynylanilino)-7-methoxyquinoline-3-carbonitrile
CID 166629629
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
CID 50768736

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride (CID 146055704) is 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride is CCc1ccc2ncc(C#N)c(Nc3cccc(OC)c3)c2c1.Cl.
What is the InChIKey of 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The InChIKey is QASQQJPEPFJZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O.ClH/c1-3-13-7-8-18-17(9-13)19(14(11-20)12-21-18)22-15-5-4-6-16(10-15)23-2;/h4-10,12H,3H2,1-2H3,(H,21,22);1H.
What are the key properties of 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride?
6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride has a molecular weight of 339.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 146055704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).