4-amino-6-chloroquinoline-2-carbonitrile

C10H6ClN3 — CID 84620141

IUPAC4-amino-6-chloroquinoline-2-carbonitrile
SMILESN#Cc1cc(N)c2cc(Cl)ccc2n1
InChIInChI=1S/C10H6ClN3/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4H,(H2,13,14)
InChIKeyYUHXSONPWRAZPY-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.34
Rot. Bonds

About 4-amino-6-chloroquinoline-2-carbonitrile

4-amino-6-chloroquinoline-2-carbonitrile (PubChem CID 84620141) has the molecular formula C10H6ClN3 and a molecular weight of 203.63 g/mol. Its IUPAC name is 4-amino-6-chloroquinoline-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-chloroquinoline-2-carbonitrile
PubChem CID84620141
Molecular FormulaC10H6ClN3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Name4-amino-6-chloroquinoline-2-carbonitrile
SMILESN#Cc1cc(N)c2cc(Cl)ccc2n1
InChIInChI=1S/C10H6ClN3/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4H,(H2,13,14)
InChIKeyYUHXSONPWRAZPY-UHFFFAOYSA-N
XLogP2.34
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloroquinoline-2-carbonitrile?
The IUPAC name of 4-amino-6-chloroquinoline-2-carbonitrile (CID 84620141) is 4-amino-6-chloroquinoline-2-carbonitrile.
What is the SMILES notation for 4-amino-6-chloroquinoline-2-carbonitrile?
The canonical SMILES for 4-amino-6-chloroquinoline-2-carbonitrile is N#Cc1cc(N)c2cc(Cl)ccc2n1.
What is the InChIKey of 4-amino-6-chloroquinoline-2-carbonitrile?
The InChIKey is YUHXSONPWRAZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4H,(H2,13,14).
What are the key properties of 4-amino-6-chloroquinoline-2-carbonitrile?
4-amino-6-chloroquinoline-2-carbonitrile has a molecular weight of 203.63 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloroquinoline-2-carbonitrile is sourced from PubChem (CID 84620141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).