6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile

C17H12ClN3 — CID 50768417

IUPAC6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H12ClN3/c1-11-2-5-14(6-3-11)21-17-12(9-19)10-20-16-7-4-13(18)8-15(16)17/h2-8,10H,1H3,(H,20,21)
InChIKeyNTEZRKKOKCIWHG-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.81
Rot. Bonds2

About 6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile

6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile (PubChem CID 50768417) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
PubChem CID50768417
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H12ClN3/c1-11-2-5-14(6-3-11)21-17-12(9-19)10-20-16-7-4-13(18)8-15(16)17/h2-8,10H,1H3,(H,20,21)
InChIKeyNTEZRKKOKCIWHG-UHFFFAOYSA-N
XLogP4.81
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055600
4-(1,3-benzodioxol-5-ylamino)-6-chloroquinoline-3-carbonitrile;hydrochloride
CID 146055642
4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
CID 45283835
6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 45283848
4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
4-(4-chloro-2-methylanilino)quinoline-3-carbonitrile
CID 43669095
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 71779766
4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495
6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile
CID 133310729

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile (CID 50768417) is 6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile is Cc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile?
The InChIKey is NTEZRKKOKCIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c1-11-2-5-14(6-3-11)21-17-12(9-19)10-20-16-7-4-13(18)8-15(16)17/h2-8,10H,1H3,(H,20,21).
What are the key properties of 6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile?
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile has a molecular weight of 293.76 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 50768417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).