2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile

C16H10ClN3OS — CID 134601840

IUPAC2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile
SMILESCS(=O)c1ccccc1-c1nc(Cl)nc2cc(C#N)ccc12
InChIInChI=1S/C16H10ClN3OS/c1-22(21)14-5-3-2-4-12(14)15-11-7-6-10(9-18)8-13(11)19-16(17)20-15/h2-8H,1H3
InChIKeyYXCPMWXXFIDHIY-UHFFFAOYSA-N
MW327.80 g/mol
LogP3.56
Rot. Bonds2

About 2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile

2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile (PubChem CID 134601840) has the molecular formula C16H10ClN3OS and a molecular weight of 327.80 g/mol. Its IUPAC name is 2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile
PubChem CID134601840
Molecular FormulaC16H10ClN3OS
Molecular Weight327.80 g/mol
Exact Mass327.02
IUPAC Name2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile
SMILESCS(=O)c1ccccc1-c1nc(Cl)nc2cc(C#N)ccc12
InChIInChI=1S/C16H10ClN3OS/c1-22(21)14-5-3-2-4-12(14)15-11-7-6-10(9-18)8-13(11)19-16(17)20-15/h2-8H,1H3
InChIKeyYXCPMWXXFIDHIY-UHFFFAOYSA-N
XLogP3.56
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline
CID 134601826
benzo[c]cinnoline-3-carbonitrile
CID 169092864
1-methyl-2-(2-methylsulfinylphenyl)benzene
CID 67317752
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
4-(2-chloro-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl)benzonitrile
CID 137424603
4-chloro-3-(2-methylphenyl)benzonitrile
CID 172914911
indolo[3,2-d][1]benzazepine-9-carbonitrile
CID 139963449
3-benzhydryl-2-methyl-4-oxoquinazoline-7-carbonitrile
CID 58187192
3-(2-chloroquinazolin-4-yl)oxybenzonitrile
CID 62477850
4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol
CID 135867879
3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]benzonitrile
CID 169297045
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 22693255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile?
The IUPAC name of 2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile (CID 134601840) is 2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile.
What is the SMILES notation for 2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile?
The canonical SMILES for 2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile is CS(=O)c1ccccc1-c1nc(Cl)nc2cc(C#N)ccc12.
What is the InChIKey of 2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile?
The InChIKey is YXCPMWXXFIDHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3OS/c1-22(21)14-5-3-2-4-12(14)15-11-7-6-10(9-18)8-13(11)19-16(17)20-15/h2-8H,1H3.
What are the key properties of 2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile?
2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile has a molecular weight of 327.80 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile is sourced from PubChem (CID 134601840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).