2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one

C16H13ClN2O2S — CID 936945

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one
SMILESCOn1c(SCc2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C16H13ClN2O2S/c1-21-19-15(20)12-7-3-5-9-14(12)18-16(19)22-10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3
InChIKeyUTEOESQDDORIDL-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.40
Rot. Bonds4

About 2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one

2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one (PubChem CID 936945) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one
PubChem CID936945
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one
SMILESCOn1c(SCc2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C16H13ClN2O2S/c1-21-19-15(20)12-7-3-5-9-14(12)18-16(19)22-10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3
InChIKeyUTEOESQDDORIDL-UHFFFAOYSA-N
XLogP3.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 51365422
2-benzylsulfanyl-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 51365254
3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one
CID 938390
N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 664383
3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one
CID 53490303
3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one
CID 4596521
2-[(2-chlorophenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one
CID 4198058
3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 977444
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 51365639
2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 39803813
3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 3968928
ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 942363

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one (CID 936945) is 2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one is COn1c(SCc2ccccc2Cl)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one?
The InChIKey is UTEOESQDDORIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-21-19-15(20)12-7-3-5-9-14(12)18-16(19)22-10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one?
2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one has a molecular weight of 332.81 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one is sourced from PubChem (CID 936945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).