2,3-dichloro-2H-quinazoline

C8H6Cl2N2 — CID 18542161

IUPAC2,3-dichloro-2H-quinazoline
SMILESClC1N=c2ccccc2=CN1Cl
InChIInChI=1S/C8H6Cl2N2/c9-8-11-7-4-2-1-3-6(7)5-12(8)10/h1-5,8H
InChIKeySSVLNYOOXHULLR-UHFFFAOYSA-N
MW201.06 g/mol
LogP1.04
Rot. Bonds

About 2,3-dichloro-2H-quinazoline

2,3-dichloro-2H-quinazoline (PubChem CID 18542161) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 2,3-dichloro-2H-quinazoline.

Molecular Properties

Compound Name2,3-dichloro-2H-quinazoline
PubChem CID18542161
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name2,3-dichloro-2H-quinazoline
SMILESClC1N=c2ccccc2=CN1Cl
InChIInChI=1S/C8H6Cl2N2/c9-8-11-7-4-2-1-3-6(7)5-12(8)10/h1-5,8H
InChIKeySSVLNYOOXHULLR-UHFFFAOYSA-N
XLogP1.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2,3-dichloro-2H-quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-2H-quinazoline?
The IUPAC name of 2,3-dichloro-2H-quinazoline (CID 18542161) is 2,3-dichloro-2H-quinazoline.
What is the SMILES notation for 2,3-dichloro-2H-quinazoline?
The canonical SMILES for 2,3-dichloro-2H-quinazoline is ClC1N=c2ccccc2=CN1Cl.
What is the InChIKey of 2,3-dichloro-2H-quinazoline?
The InChIKey is SSVLNYOOXHULLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c9-8-11-7-4-2-1-3-6(7)5-12(8)10/h1-5,8H.
What are the key properties of 2,3-dichloro-2H-quinazoline?
2,3-dichloro-2H-quinazoline has a molecular weight of 201.06 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-2H-quinazoline is sourced from PubChem (CID 18542161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).