4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline

C16H11Cl2FN2 — CID 107999704

IUPAC4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline
SMILESCc1cc(C)c2c(Cl)nc(-c3ccc(Cl)c(F)c3)nc2c1
InChIInChI=1S/C16H11Cl2FN2/c1-8-5-9(2)14-13(6-8)20-16(21-15(14)18)10-3-4-11(17)12(19)7-10/h3-7H,1-2H3
InChIKeyPKBCYZIYHVUQLB-UHFFFAOYSA-N
MW321.18 g/mol
LogP5.36
Rot. Bonds1

About 4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline

4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline (PubChem CID 107999704) has the molecular formula C16H11Cl2FN2 and a molecular weight of 321.18 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline
PubChem CID107999704
Molecular FormulaC16H11Cl2FN2
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline
SMILESCc1cc(C)c2c(Cl)nc(-c3ccc(Cl)c(F)c3)nc2c1
InChIInChI=1S/C16H11Cl2FN2/c1-8-5-9(2)14-13(6-8)20-16(21-15(14)18)10-3-4-11(17)12(19)7-10/h3-7H,1-2H3
InChIKeyPKBCYZIYHVUQLB-UHFFFAOYSA-N
XLogP5.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.18
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline
CID 114589846
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262
4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine
CID 11565869
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658
4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
CID 114590368
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
CID 80550185
4-chloro-5-methyl-2-(4-methylphenyl)quinazoline
CID 63086037
4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
CID 63084490
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
CID 106818033
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 114590337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline?
The IUPAC name of 4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline (CID 107999704) is 4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline.
What is the SMILES notation for 4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline?
The canonical SMILES for 4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline is Cc1cc(C)c2c(Cl)nc(-c3ccc(Cl)c(F)c3)nc2c1.
What is the InChIKey of 4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline?
The InChIKey is PKBCYZIYHVUQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2/c1-8-5-9(2)14-13(6-8)20-16(21-15(14)18)10-3-4-11(17)12(19)7-10/h3-7H,1-2H3.
What are the key properties of 4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline?
4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline has a molecular weight of 321.18 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline is sourced from PubChem (CID 107999704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).