5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile

C13H10N4O — CID 116858528

IUPAC5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(c2)CCC(=O)N3)[nH]n1
InChIInChI=1S/C13H10N4O/c14-7-10-6-12(17-16-10)9-1-3-11-8(5-9)2-4-13(18)15-11/h1,3,5-6H,2,4H2,(H,15,18)(H,16,17)
InChIKeyAYPQMMRRIAKTST-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.83
Rot. Bonds1

About 5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile

5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile (PubChem CID 116858528) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
PubChem CID116858528
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(c2)CCC(=O)N3)[nH]n1
InChIInChI=1S/C13H10N4O/c14-7-10-6-12(17-16-10)9-1-3-11-8(5-9)2-4-13(18)15-11/h1,3,5-6H,2,4H2,(H,15,18)(H,16,17)
InChIKeyAYPQMMRRIAKTST-UHFFFAOYSA-N
XLogP1.83
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
CID 116900840
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922
3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile
CID 82380634
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82293410
6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82293668
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridazine-4-carbonitrile
CID 80510072
6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116877449
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-3-carbonitrile
CID 24693753
2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 81273879

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile?
The IUPAC name of 5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile (CID 116858528) is 5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile.
What is the SMILES notation for 5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile?
The canonical SMILES for 5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile is N#Cc1cc(-c2ccc3c(c2)CCC(=O)N3)[nH]n1.
What is the InChIKey of 5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile?
The InChIKey is AYPQMMRRIAKTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-7-10-6-12(17-16-10)9-1-3-11-8(5-9)2-4-13(18)15-11/h1,3,5-6H,2,4H2,(H,15,18)(H,16,17).
What are the key properties of 5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile?
5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile is sourced from PubChem (CID 116858528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).