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

C14H10N4O — CID 116900840

IUPAC4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(-c2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C14H10N4O/c15-8-13-16-6-5-12(17-13)9-1-3-11-10(7-9)2-4-14(19)18-11/h1,3,5-7H,2,4H2,(H,18,19)
InChIKeyUJDIKGRMGDPSEC-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.90
Rot. Bonds1

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

4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile (PubChem CID 116900840) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
PubChem CID116900840
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(-c2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C14H10N4O/c15-8-13-16-6-5-12(17-13)9-1-3-11-10(7-9)2-4-14(19)18-11/h1,3,5-7H,2,4H2,(H,18,19)
InChIKeyUJDIKGRMGDPSEC-UHFFFAOYSA-N
XLogP1.90
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
CID 116858528
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-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82293668
6-(6-fluoroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550234
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963
6-[6-methyl-2-(methylamino)pyrimidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116894637
6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one
CID 59860167
(E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 9344140
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile (CID 116900840) is 4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile is N#Cc1nccc(-c2ccc3c(c2)CCC(=O)N3)n1.
What is the InChIKey of 4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile?
The InChIKey is UJDIKGRMGDPSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-8-13-16-6-5-12(17-13)9-1-3-11-10(7-9)2-4-14(19)18-11/h1,3,5-7H,2,4H2,(H,18,19).
What are the key properties of 4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile?
4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 116900840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).