4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline

C16H11Cl3N2 — CID 114590874

IUPAC4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
SMILESCc1cc(Cl)c2nc(-c3ccc(C)c(Cl)c3)nc(Cl)c2c1
InChIInChI=1S/C16H11Cl3N2/c1-8-5-11-14(13(18)6-8)20-16(21-15(11)19)10-4-3-9(2)12(17)7-10/h3-7H,1-2H3
InChIKeyJCMJXBPUDZASQR-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.87
Rot. Bonds1

About 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline

4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline (PubChem CID 114590874) has the molecular formula C16H11Cl3N2 and a molecular weight of 337.64 g/mol. Its IUPAC name is 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline.

Molecular Properties

Compound Name4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
PubChem CID114590874
Molecular FormulaC16H11Cl3N2
Molecular Weight337.64 g/mol
Exact Mass336.00
IUPAC Name4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
SMILESCc1cc(Cl)c2nc(-c3ccc(C)c(Cl)c3)nc(Cl)c2c1
InChIInChI=1S/C16H11Cl3N2/c1-8-5-11-14(13(18)6-8)20-16(21-15(11)19)10-4-3-9(2)12(17)7-10/h3-7H,1-2H3
InChIKeyJCMJXBPUDZASQR-UHFFFAOYSA-N
XLogP5.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline 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 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline?
The IUPAC name of 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline (CID 114590874) is 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline.
What is the SMILES notation for 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline?
The canonical SMILES for 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline is Cc1cc(Cl)c2nc(-c3ccc(C)c(Cl)c3)nc(Cl)c2c1.
What is the InChIKey of 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline?
The InChIKey is JCMJXBPUDZASQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2/c1-8-5-11-14(13(18)6-8)20-16(21-15(11)19)10-4-3-9(2)12(17)7-10/h3-7H,1-2H3.
What are the key properties of 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline?
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline has a molecular weight of 337.64 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline is sourced from PubChem (CID 114590874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).