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

Name: 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₄Cl₂N₂S — CID 1480192

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline
PubChem CID	1480192
Molecular Formula	C₁₅H₁₄Cl₂N₂S
Molecular Weight	325.26 g/mol
Exact Mass	324.03
IUPAC Name	4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline
SMILES	Clc1ccc(CSc2nc(Cl)c3c(n2)CCCC3)cc1
InChI	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
InChIKey	GNEMJRQFZPEJDL-UHFFFAOYSA-N
XLogP	4.95
TPSA	25.78 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.26
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 1480192 — identifiers, structure, computed properties (public domain)

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