8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride

C18H16ClN3O2 — CID 123132875

IUPAC8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
SMILESCOc1ccc(Nc2c(C#N)cnc3c(OC)cccc23)cc1.Cl
InChIInChI=1S/C18H15N3O2.ClH/c1-22-14-8-6-13(7-9-14)21-17-12(10-19)11-20-18-15(17)4-3-5-16(18)23-2;/h3-9,11H,1-2H3,(H,20,21);1H
InChIKeyVVHIIJDJEYFHHM-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.29
Rot. Bonds4

About 8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride

8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride (PubChem CID 123132875) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
PubChem CID123132875
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
SMILESCOc1ccc(Nc2c(C#N)cnc3c(OC)cccc23)cc1.Cl
InChIInChI=1S/C18H15N3O2.ClH/c1-22-14-8-6-13(7-9-14)21-17-12(10-19)11-20-18-15(17)4-3-5-16(18)23-2;/h3-9,11H,1-2H3,(H,20,21);1H
InChIKeyVVHIIJDJEYFHHM-UHFFFAOYSA-N
XLogP4.29
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-4-(4-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

4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
CID 27371729
4-(4-phenoxyanilino)benzo[h]quinoline-3-carbonitrile
CID 69372675
6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
CID 142143779
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
CID 167702626
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
CID 50768736
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile
CID 57076882
7-methoxy-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055680

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride (CID 123132875) is 8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride is COc1ccc(Nc2c(C#N)cnc3c(OC)cccc23)cc1.Cl.
What is the InChIKey of 8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The InChIKey is VVHIIJDJEYFHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.ClH/c1-22-14-8-6-13(7-9-14)21-17-12(10-19)11-20-18-15(17)4-3-5-16(18)23-2;/h3-9,11H,1-2H3,(H,20,21);1H.
What are the key properties of 8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride?
8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride has a molecular weight of 341.80 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 123132875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).