4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline

C15H9Cl3N2 — CID 114590337

IUPAC4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)c3c(Cl)cccc3n2)cc1Cl
InChIInChI=1S/C15H9Cl3N2/c1-8-5-6-9(7-11(8)17)15-19-12-4-2-3-10(16)13(12)14(18)20-15/h2-7H,1H3
InChIKeyUILCDGBQMFPYAL-UHFFFAOYSA-N
MW323.61 g/mol
LogP5.57
Rot. Bonds1

About 4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline

4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline (PubChem CID 114590337) has the molecular formula C15H9Cl3N2 and a molecular weight of 323.61 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline.

Molecular Properties

Compound Name4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
PubChem CID114590337
Molecular FormulaC15H9Cl3N2
Molecular Weight323.61 g/mol
Exact Mass321.98
IUPAC Name4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)c3c(Cl)cccc3n2)cc1Cl
InChIInChI=1S/C15H9Cl3N2/c1-8-5-6-9(7-11(8)17)15-19-12-4-2-3-10(16)13(12)14(18)20-15/h2-7H,1H3
InChIKeyUILCDGBQMFPYAL-UHFFFAOYSA-N
XLogP5.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 55197160
4-chloro-5-methyl-2-(4-methylphenyl)quinazoline
CID 63086037
4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
CID 114590291
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
CID 106818017
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
CID 106818033
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262
4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline
CID 63498026
4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine
CID 106818019
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline
CID 114590319
4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline
CID 114591688
4-chloro-5-methyl-2-(2-methylphenyl)quinazoline
CID 63086200

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline?
The IUPAC name of 4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline (CID 114590337) is 4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline.
What is the SMILES notation for 4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline?
The canonical SMILES for 4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline is Cc1ccc(-c2nc(Cl)c3c(Cl)cccc3n2)cc1Cl.
What is the InChIKey of 4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline?
The InChIKey is UILCDGBQMFPYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2/c1-8-5-6-9(7-11(8)17)15-19-12-4-2-3-10(16)13(12)14(18)20-15/h2-7H,1H3.
What are the key properties of 4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline?
4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline has a molecular weight of 323.61 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline is sourced from PubChem (CID 114590337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).