2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile

C15H10N4OS — CID 17403779

IUPAC2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile
SMILESN#CCSc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C15H10N4OS/c16-7-9-21-15-18-13-6-2-1-5-12(13)14(20)19(15)11-4-3-8-17-10-11/h1-6,8,10H,9H2
InChIKeyGKVSTIVGERGPPY-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile

2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile (PubChem CID 17403779) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile
PubChem CID17403779
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile
SMILESN#CCSc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C15H10N4OS/c16-7-9-21-15-18-13-6-2-1-5-12(13)14(20)19(15)11-4-3-8-17-10-11/h1-6,8,10H,9H2
InChIKeyGKVSTIVGERGPPY-UHFFFAOYSA-N
XLogP2.40
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
CID 17403778
2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile
CID 17024685
N-[(2S)-3-methylbutan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 40584082
N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17401059
N-cyclohexyl-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17400783
N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 41038076
3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide
CID 23973161
2-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]benzonitrile
CID 1288836
N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 87018774
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6886795
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one
CID 3967996

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile?
The IUPAC name of 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile (CID 17403779) is 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile.
What is the SMILES notation for 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile?
The canonical SMILES for 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile is N#CCSc1nc2ccccc2c(=O)n1-c1cccnc1.
What is the InChIKey of 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile?
The InChIKey is GKVSTIVGERGPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-7-9-21-15-18-13-6-2-1-5-12(13)14(20)19(15)11-4-3-8-17-10-11/h1-6,8,10H,9H2.
What are the key properties of 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile?
2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile has a molecular weight of 294.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile is sourced from PubChem (CID 17403779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).