6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride

C18H15Cl2N3O — CID 71779770

IUPAC6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride
SMILESCOc1ccc(CNc2c(C#N)cnc3ccc(Cl)cc23)cc1.Cl
InChIInChI=1S/C18H14ClN3O.ClH/c1-23-15-5-2-12(3-6-15)10-22-18-13(9-20)11-21-17-7-4-14(19)8-16(17)18;/h2-8,11H,10H2,1H3,(H,21,22);1H
InChIKeyWWUWWUDZUIZXFS-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.80
Rot. Bonds4

About 6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride

6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride (PubChem CID 71779770) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride
PubChem CID71779770
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride
SMILESCOc1ccc(CNc2c(C#N)cnc3ccc(Cl)cc23)cc1.Cl
InChIInChI=1S/C18H14ClN3O.ClH/c1-23-15-5-2-12(3-6-15)10-22-18-13(9-20)11-21-17-7-4-14(19)8-16(17)18;/h2-8,11H,10H2,1H3,(H,21,22);1H
InChIKeyWWUWWUDZUIZXFS-UHFFFAOYSA-N
XLogP4.80
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590
6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile
CID 133316765
6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 71779766
6-ethoxy-4-[(4-fluorophenyl)methylamino]quinoline-3-carbonitrile
CID 50768558
6-chloro-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18560312
6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile
CID 91953514
6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile
CID 133434869
6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile
CID 133318351
4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133310634
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69316825

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride (CID 71779770) is 6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride is COc1ccc(CNc2c(C#N)cnc3ccc(Cl)cc23)cc1.Cl.
What is the InChIKey of 6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride?
The InChIKey is WWUWWUDZUIZXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O.ClH/c1-23-15-5-2-12(3-6-15)10-22-18-13(9-20)11-21-17-7-4-14(19)8-16(17)18;/h2-8,11H,10H2,1H3,(H,21,22);1H.
What are the key properties of 6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride?
6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride has a molecular weight of 360.24 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 71779770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).