2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile

C17H12ClN3 — CID 66255713

IUPAC2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile
SMILESCc1cccc(Cl)c1Nc1nc2ccccc2cc1C#N
InChIInChI=1S/C17H12ClN3/c1-11-5-4-7-14(18)16(11)21-17-13(10-19)9-12-6-2-3-8-15(12)20-17/h2-9H,1H3,(H,20,21)
InChIKeyIGZVLFOEASGIIV-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.81
Rot. Bonds2

About 2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile

2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile (PubChem CID 66255713) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile
PubChem CID66255713
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile
SMILESCc1cccc(Cl)c1Nc1nc2ccccc2cc1C#N
InChIInChI=1S/C17H12ClN3/c1-11-5-4-7-14(18)16(11)21-17-13(10-19)9-12-6-2-3-8-15(12)20-17/h2-9H,1H3,(H,20,21)
InChIKeyIGZVLFOEASGIIV-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile?
The IUPAC name of 2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile (CID 66255713) is 2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile?
The canonical SMILES for 2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile is Cc1cccc(Cl)c1Nc1nc2ccccc2cc1C#N.
What is the InChIKey of 2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile?
The InChIKey is IGZVLFOEASGIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c1-11-5-4-7-14(18)16(11)21-17-13(10-19)9-12-6-2-3-8-15(12)20-17/h2-9H,1H3,(H,20,21).
What are the key properties of 2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile?
2-(2-chloro-6-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 2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 66255713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).