3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one

C15H11Cl2N3OS — CID 53490303

IUPAC3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one
SMILESNn1c(SCc2ccccc2Cl)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H11Cl2N3OS/c16-10-5-6-11-13(7-10)19-15(20(18)14(11)21)22-8-9-3-1-2-4-12(9)17/h1-7H,8,18H2
InChIKeyMZARRURJDIFGND-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.71
Rot. Bonds3

About 3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one

3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 53490303) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is 3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one
PubChem CID53490303
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC Name3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one
SMILESNn1c(SCc2ccccc2Cl)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H11Cl2N3OS/c16-10-5-6-11-13(7-10)19-15(20(18)14(11)21)22-8-9-3-1-2-4-12(9)17/h1-7H,8,18H2
InChIKeyMZARRURJDIFGND-UHFFFAOYSA-N
XLogP3.71
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one (CID 53490303) is 3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one is Nn1c(SCc2ccccc2Cl)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is MZARRURJDIFGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c16-10-5-6-11-13(7-10)19-15(20(18)14(11)21)22-8-9-3-1-2-4-12(9)17/h1-7H,8,18H2.
What are the key properties of 3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one?
3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 352.25 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 53490303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).