3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one

C15H11BrClN3OS — CID 53490241

IUPAC3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one
SMILESNn1c(SCc2cccc(Cl)c2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C15H11BrClN3OS/c16-10-4-5-13-12(7-10)14(21)20(18)15(19-13)22-8-9-2-1-3-11(17)6-9/h1-7H,8,18H2
InChIKeyGVAYRMPGWDPTEW-UHFFFAOYSA-N
MW396.70 g/mol
LogP3.82
Rot. Bonds3

About 3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one

3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 53490241) has the molecular formula C15H11BrClN3OS and a molecular weight of 396.70 g/mol. Its IUPAC name is 3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one
PubChem CID53490241
Molecular FormulaC15H11BrClN3OS
Molecular Weight396.70 g/mol
Exact Mass394.95
IUPAC Name3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one
SMILESNn1c(SCc2cccc(Cl)c2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C15H11BrClN3OS/c16-10-4-5-13-12(7-10)14(21)20(18)15(19-13)22-8-9-2-1-3-11(17)6-9/h1-7H,8,18H2
InChIKeyGVAYRMPGWDPTEW-UHFFFAOYSA-N
XLogP3.82
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.70
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-[(3-bromophenyl)methylsulfanyl]-6-methylquinazolin-4-one
CID 53366677
3-amino-6-bromo-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 53490231
2-[(3-chlorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2201201
6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 24577737
3-amino-7-chloro-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one
CID 53366653
3-amino-2-[(3,4-dimethylphenyl)methylsulfanyl]-6-methylquinazolin-4-one
CID 53366669
2-(3-amino-6-bromo-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetic acid
CID 44590762
3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one
CID 53490303
2-benzylsulfanyl-6-bromo-3-(thiophen-2-ylmethyl)quinazolin-4-one
CID 153124526
3-amino-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-7-fluoroquinazolin-4-one
CID 53490290
3-[[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 32864447
3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 53366599

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one (CID 53490241) is 3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one is Nn1c(SCc2cccc(Cl)c2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is GVAYRMPGWDPTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3OS/c16-10-4-5-13-12(7-10)14(21)20(18)15(19-13)22-8-9-2-1-3-11(17)6-9/h1-7H,8,18H2.
What are the key properties of 3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one?
3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 396.70 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 53490241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).