4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline

C15H14Cl2N2S — CID 1480192

IUPAC4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline
SMILESClc1ccc(CSc2nc(Cl)c3c(n2)CCCC3)cc1
InChIInChI=1S/C15H14Cl2N2S/c16-11-7-5-10(6-8-11)9-20-15-18-13-4-2-1-3-12(13)14(17)19-15/h5-8H,1-4,9H2
InChIKeyGNEMJRQFZPEJDL-UHFFFAOYSA-N
MW325.26 g/mol
LogP4.95
Rot. Bonds3

About 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline

4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 1480192) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline
PubChem CID1480192
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline
SMILESClc1ccc(CSc2nc(Cl)c3c(n2)CCCC3)cc1
InChIInChI=1S/C15H14Cl2N2S/c16-11-7-5-10(6-8-11)9-20-15-18-13-4-2-1-3-12(13)14(17)19-15/h5-8H,1-4,9H2
InChIKeyGNEMJRQFZPEJDL-UHFFFAOYSA-N
XLogP4.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline (CID 1480192) is 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline is Clc1ccc(CSc2nc(Cl)c3c(n2)CCCC3)cc1.
What is the InChIKey of 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is GNEMJRQFZPEJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c16-11-7-5-10(6-8-11)9-20-15-18-13-4-2-1-3-12(13)14(17)19-15/h5-8H,1-4,9H2.
What are the key properties of 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 325.26 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 1480192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).