4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile

C17H12ClN3 — CID 63510997

IUPAC4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile
SMILESCc1ccc2cccc(Nc3cc(Cl)ccc3C#N)c2n1
InChIInChI=1S/C17H12ClN3/c1-11-5-6-12-3-2-4-15(17(12)20-11)21-16-9-14(18)8-7-13(16)10-19/h2-9,21H,1H3
InChIKeyBLUWNOKFICPMQI-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.81
Rot. Bonds2

About 4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile

4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile (PubChem CID 63510997) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile
PubChem CID63510997
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile
SMILESCc1ccc2cccc(Nc3cc(Cl)ccc3C#N)c2n1
InChIInChI=1S/C17H12ClN3/c1-11-5-6-12-3-2-4-15(17(12)20-11)21-16-9-14(18)8-7-13(16)10-19/h2-9,21H,1H3
InChIKeyBLUWNOKFICPMQI-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

4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
2-bromo-4-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 107276311
4-chloro-2-(2,3-difluoroanilino)benzonitrile
CID 63093409
2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 114880986
4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 55219904
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
4-chloro-2-(2,5-dichloroanilino)benzonitrile
CID 55194781
4-chloro-2-(2,5-dichloro-4-methylanilino)benzonitrile
CID 104727196
2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
CID 82756889
2-(4-amino-2-methylanilino)-4-chlorobenzonitrile
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4-chloro-2-(2-ethoxyanilino)benzonitrile
CID 63517459

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile?
The IUPAC name of 4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile (CID 63510997) is 4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile?
The canonical SMILES for 4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile is Cc1ccc2cccc(Nc3cc(Cl)ccc3C#N)c2n1.
What is the InChIKey of 4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile?
The InChIKey is BLUWNOKFICPMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c1-11-5-6-12-3-2-4-15(17(12)20-11)21-16-9-14(18)8-7-13(16)10-19/h2-9,21H,1H3.
What are the key properties of 4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile?
4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile 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 4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile is sourced from PubChem (CID 63510997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).