5-chloro-2-(quinolin-5-ylamino)benzonitrile

C16H10ClN3 — CID 62493218

IUPAC5-chloro-2-(quinolin-5-ylamino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1cccc2ncccc12
InChIInChI=1S/C16H10ClN3/c17-12-6-7-14(11(9-12)10-18)20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9,20H
InChIKeyIZDSZZKSDOXAFL-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.50
Rot. Bonds2

About 5-chloro-2-(quinolin-5-ylamino)benzonitrile

5-chloro-2-(quinolin-5-ylamino)benzonitrile (PubChem CID 62493218) has the molecular formula C16H10ClN3 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-2-(quinolin-5-ylamino)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(quinolin-5-ylamino)benzonitrile
PubChem CID62493218
Molecular FormulaC16H10ClN3
Molecular Weight279.73 g/mol
Exact Mass279.06
IUPAC Name5-chloro-2-(quinolin-5-ylamino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1cccc2ncccc12
InChIInChI=1S/C16H10ClN3/c17-12-6-7-14(11(9-12)10-18)20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9,20H
InChIKeyIZDSZZKSDOXAFL-UHFFFAOYSA-N
XLogP4.50
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(quinolin-5-ylamino)benzonitrile?
The IUPAC name of 5-chloro-2-(quinolin-5-ylamino)benzonitrile (CID 62493218) is 5-chloro-2-(quinolin-5-ylamino)benzonitrile.
What is the SMILES notation for 5-chloro-2-(quinolin-5-ylamino)benzonitrile?
The canonical SMILES for 5-chloro-2-(quinolin-5-ylamino)benzonitrile is N#Cc1cc(Cl)ccc1Nc1cccc2ncccc12.
What is the InChIKey of 5-chloro-2-(quinolin-5-ylamino)benzonitrile?
The InChIKey is IZDSZZKSDOXAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3/c17-12-6-7-14(11(9-12)10-18)20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9,20H.
What are the key properties of 5-chloro-2-(quinolin-5-ylamino)benzonitrile?
5-chloro-2-(quinolin-5-ylamino)benzonitrile has a molecular weight of 279.73 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(quinolin-5-ylamino)benzonitrile is sourced from PubChem (CID 62493218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).