4-chloro-2-thiophen-2-ylquinazoline

C12H7ClN2S — CID 2090994

IUPAC4-chloro-2-thiophen-2-ylquinazoline
SMILESClc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C12H7ClN2S/c13-11-8-4-1-2-5-9(8)14-12(15-11)10-6-3-7-16-10/h1-7H
InChIKeyXBTCAVUUTNKLJG-UHFFFAOYSA-N
MW246.72 g/mol
LogP4.01
Rot. Bonds1

About 4-chloro-2-thiophen-2-ylquinazoline

4-chloro-2-thiophen-2-ylquinazoline (PubChem CID 2090994) has the molecular formula C12H7ClN2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 4-chloro-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-chloro-2-thiophen-2-ylquinazoline
PubChem CID2090994
Molecular FormulaC12H7ClN2S
Molecular Weight246.72 g/mol
Exact Mass246.00
IUPAC Name4-chloro-2-thiophen-2-ylquinazoline
SMILESClc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C12H7ClN2S/c13-11-8-4-1-2-5-9(8)14-12(15-11)10-6-3-7-16-10/h1-7H
InChIKeyXBTCAVUUTNKLJG-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-chloro-2-thiophen-2-ylquinazoline (CID 2090994) is 4-chloro-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-chloro-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-chloro-2-thiophen-2-ylquinazoline is Clc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-thiophen-2-ylquinazoline?
The InChIKey is XBTCAVUUTNKLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S/c13-11-8-4-1-2-5-9(8)14-12(15-11)10-6-3-7-16-10/h1-7H.
What are the key properties of 4-chloro-2-thiophen-2-ylquinazoline?
4-chloro-2-thiophen-2-ylquinazoline has a molecular weight of 246.72 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 2090994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).