5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile

C13H8ClN5O — CID 164510745

IUPAC5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cc(=O)[nH]c3ccc(Cl)cc23)c1N
InChIInChI=1S/C13H8ClN5O/c14-8-1-2-10-9(3-8)11(4-12(20)18-10)19-13(16)7(5-15)6-17-19/h1-4,6H,16H2,(H,18,20)
InChIKeySYXHEFAPOIVJFY-UHFFFAOYSA-N
MW285.69 g/mol
LogP1.82
Rot. Bonds1

About 5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile

5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile (PubChem CID 164510745) has the molecular formula C13H8ClN5O and a molecular weight of 285.69 g/mol. Its IUPAC name is 5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile
PubChem CID164510745
Molecular FormulaC13H8ClN5O
Molecular Weight285.69 g/mol
Exact Mass285.04
IUPAC Name5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cc(=O)[nH]c3ccc(Cl)cc23)c1N
InChIInChI=1S/C13H8ClN5O/c14-8-1-2-10-9(3-8)11(4-12(20)18-10)19-13(16)7(5-15)6-17-19/h1-4,6H,16H2,(H,18,20)
InChIKeySYXHEFAPOIVJFY-UHFFFAOYSA-N
XLogP1.82
TPSA100.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile (CID 164510745) is 5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2cc(=O)[nH]c3ccc(Cl)cc23)c1N.
What is the InChIKey of 5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile?
The InChIKey is SYXHEFAPOIVJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5O/c14-8-1-2-10-9(3-8)11(4-12(20)18-10)19-13(16)7(5-15)6-17-19/h1-4,6H,16H2,(H,18,20).
What are the key properties of 5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile?
5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile has a molecular weight of 285.69 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(6-chloro-2-oxo-1H-quinolin-4-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 164510745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).