4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline

C16H11Cl2FN2 — CID 107096285

IUPAC4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
SMILESCc1c(Cl)cccc1-c1nc(Cl)c2c(C)ccc(F)c2n1
InChIInChI=1S/C16H11Cl2FN2/c1-8-6-7-12(19)14-13(8)15(18)21-16(20-14)10-4-3-5-11(17)9(10)2/h3-7H,1-2H3
InChIKeyLPSPTHWKZWEGLL-UHFFFAOYSA-N
MW321.18 g/mol
LogP5.36
Rot. Bonds1

About 4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline

4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline (PubChem CID 107096285) has the molecular formula C16H11Cl2FN2 and a molecular weight of 321.18 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
PubChem CID107096285
Molecular FormulaC16H11Cl2FN2
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
SMILESCc1c(Cl)cccc1-c1nc(Cl)c2c(C)ccc(F)c2n1
InChIInChI=1S/C16H11Cl2FN2/c1-8-6-7-12(19)14-13(8)15(18)21-16(20-14)10-4-3-5-11(17)9(10)2/h3-7H,1-2H3
InChIKeyLPSPTHWKZWEGLL-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

4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline
CID 114591679
2-(5-bromo-2-chlorophenyl)-4-chloro-8-fluoro-5-methylquinazoline
CID 114589983
4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
CID 107960388
2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine
CID 107100374
5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline
CID 114591139
2,4-dichloro-8-fluoro-5-methylquinoline
CID 121399116
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
CID 81481875
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
CID 114589862
4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
CID 79757486
4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
CID 114590235
4-chloro-8-fluoro-2,3,5-trimethylquinoline
CID 60996951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline?
The IUPAC name of 4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline (CID 107096285) is 4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline?
The canonical SMILES for 4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline is Cc1c(Cl)cccc1-c1nc(Cl)c2c(C)ccc(F)c2n1.
What is the InChIKey of 4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline?
The InChIKey is LPSPTHWKZWEGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2/c1-8-6-7-12(19)14-13(8)15(18)21-16(20-14)10-4-3-5-11(17)9(10)2/h3-7H,1-2H3.
What are the key properties of 4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline?
4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline 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-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline is sourced from PubChem (CID 107096285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).