4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile

C14H14N4O — CID 142062413

IUPAC4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile
SMILESN#Cc1nc2ccc(N3CCCCC3)cc2c(=O)[nH]1
InChIInChI=1S/C14H14N4O/c15-9-13-16-12-5-4-10(8-11(12)14(19)17-13)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H,16,17,19)
InChIKeyBXQPIVHJJGBIOO-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.79
Rot. Bonds1

About 4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile

4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile (PubChem CID 142062413) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile.

Molecular Properties

Compound Name4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile
PubChem CID142062413
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile
SMILESN#Cc1nc2ccc(N3CCCCC3)cc2c(=O)[nH]1
InChIInChI=1S/C14H14N4O/c15-9-13-16-12-5-4-10(8-11(12)14(19)17-13)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H,16,17,19)
InChIKeyBXQPIVHJJGBIOO-UHFFFAOYSA-N
XLogP1.79
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986
6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
CID 156870459
2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 158662772
1-iodo-7-piperidin-1-yl-2,3-dihydroimidazo[2,1-b]quinazolin-5-one;hydrate;dihydrochloride
CID 173073873
2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one
CID 140904912
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one
CID 150271207
6-pyrrolidin-1-ylquinoline-3-carbonitrile
CID 105480696
2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanylacetonitrile
CID 3244121
4-(azepan-1-yl)-2-ethylbenzonitrile
CID 84692086
2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
CID 168514262
4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
CID 63180046

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile?
The IUPAC name of 4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile (CID 142062413) is 4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile.
What is the SMILES notation for 4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile?
The canonical SMILES for 4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile is N#Cc1nc2ccc(N3CCCCC3)cc2c(=O)[nH]1.
What is the InChIKey of 4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile?
The InChIKey is BXQPIVHJJGBIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-9-13-16-12-5-4-10(8-11(12)14(19)17-13)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H,16,17,19).
What are the key properties of 4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile?
4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile is sourced from PubChem (CID 142062413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).