6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride

C20H20ClN3 — CID 146055600

IUPAC6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
SMILESCc1ccc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2c1.Cl
InChIInChI=1S/C20H19N3.ClH/c1-13(2)15-5-7-17(8-6-15)23-20-16(11-21)12-22-19-9-4-14(3)10-18(19)20;/h4-10,12-13H,1-3H3,(H,22,23);1H
InChIKeyYNGLLKGKHNDOMJ-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.70
Rot. Bonds3

About 6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride

6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride (PubChem CID 146055600) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
PubChem CID146055600
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
SMILESCc1ccc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2c1.Cl
InChIInChI=1S/C20H19N3.ClH/c1-13(2)15-5-7-17(8-6-15)23-20-16(11-21)12-22-19-9-4-14(3)10-18(19)20;/h4-10,12-13H,1-3H3,(H,22,23);1H
InChIKeyYNGLLKGKHNDOMJ-UHFFFAOYSA-N
XLogP5.70
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
7-methoxy-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055680
6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 45283848
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
2-[(3-cyano-6-methylquinolin-4-yl)amino]benzoic acid
CID 167600659
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-(2-chloro-5-methylanilino)quinoline-3-carbonitrile
CID 107635172
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride (CID 146055600) is 6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride is Cc1ccc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2c1.Cl.
What is the InChIKey of 6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride?
The InChIKey is YNGLLKGKHNDOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3.ClH/c1-13(2)15-5-7-17(8-6-15)23-20-16(11-21)12-22-19-9-4-14(3)10-18(19)20;/h4-10,12-13H,1-3H3,(H,22,23);1H.
What are the key properties of 6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride?
6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 146055600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).