6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride

C18H15Cl2N3O2 — CID 71779766

IUPAC6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
SMILESCOc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)c(OC)c1.Cl
InChIInChI=1S/C18H14ClN3O2.ClH/c1-23-13-4-6-16(17(8-13)24-2)22-18-11(9-20)10-21-15-5-3-12(19)7-14(15)18;/h3-8,10H,1-2H3,(H,21,22);1H
InChIKeyIJVUDDBICKMXSD-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.94
Rot. Bonds4

About 6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride

6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride (PubChem CID 71779766) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
PubChem CID71779766
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
SMILESCOc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)c(OC)c1.Cl
InChIInChI=1S/C18H14ClN3O2.ClH/c1-23-13-4-6-16(17(8-13)24-2)22-18-11(9-20)10-21-15-5-3-12(19)7-14(15)18;/h3-8,10H,1-2H3,(H,21,22);1H
InChIKeyIJVUDDBICKMXSD-UHFFFAOYSA-N
XLogP4.94
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328916
6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride
CID 71779770
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
4-(4-chloro-2-fluoroanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile
CID 22466695
4-(2-chloro-5-methoxyanilino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile
CID 23498091
7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile
CID 50768609
[6-chloro-4-(2,4-dimethoxyanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53335880
4-(4-chloro-2-methylanilino)quinoline-3-carbonitrile
CID 43669095
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride (CID 71779766) is 6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride is COc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)c(OC)c1.Cl.
What is the InChIKey of 6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The InChIKey is IJVUDDBICKMXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2.ClH/c1-23-13-4-6-16(17(8-13)24-2)22-18-11(9-20)10-21-15-5-3-12(19)7-14(15)18;/h3-8,10H,1-2H3,(H,21,22);1H.
What are the key properties of 6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride?
6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride has a molecular weight of 376.24 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 71779766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).