4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline

C14H6ClF3N2 — CID 114590403

IUPAC4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline
SMILESFc1ccc(-c2nc(Cl)c3cccc(F)c3n2)c(F)c1
InChIInChI=1S/C14H6ClF3N2/c15-13-9-2-1-3-10(17)12(9)19-14(20-13)8-5-4-7(16)6-11(8)18/h1-6H
InChIKeyBTXZORDUVQISIN-UHFFFAOYSA-N
MW294.66 g/mol
LogP4.37
Rot. Bonds1

About 4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline

4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline (PubChem CID 114590403) has the molecular formula C14H6ClF3N2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline
PubChem CID114590403
Molecular FormulaC14H6ClF3N2
Molecular Weight294.66 g/mol
Exact Mass294.02
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline
SMILESFc1ccc(-c2nc(Cl)c3cccc(F)c3n2)c(F)c1
InChIInChI=1S/C14H6ClF3N2/c15-13-9-2-1-3-10(17)12(9)19-14(20-13)8-5-4-7(16)6-11(8)18/h1-6H
InChIKeyBTXZORDUVQISIN-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-4-chloro-2-(2,4-difluorophenyl)quinazoline
CID 114590744
4-chloro-8-fluoro-2-(2-fluoro-4-methoxyphenyl)quinazoline
CID 102882508
4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline
CID 114590924
4-chloro-8-fluoro-2-phenylquinazoline
CID 114590404
4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline
CID 63084485
4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline
CID 114591044
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590420
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline
CID 114590475
2-bromo-4-chloro-8-fluoroquinazoline
CID 84806834
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline (CID 114590403) is 4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline is Fc1ccc(-c2nc(Cl)c3cccc(F)c3n2)c(F)c1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline?
The InChIKey is BTXZORDUVQISIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF3N2/c15-13-9-2-1-3-10(17)12(9)19-14(20-13)8-5-4-7(16)6-11(8)18/h1-6H.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline?
4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline has a molecular weight of 294.66 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline is sourced from PubChem (CID 114590403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).