4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline

C14H5ClF4N2 — CID 114590924

IUPAC4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline
SMILESFc1cc(F)c2nc(-c3c(F)cccc3F)nc(Cl)c2c1
InChIInChI=1S/C14H5ClF4N2/c15-13-7-4-6(16)5-10(19)12(7)20-14(21-13)11-8(17)2-1-3-9(11)18/h1-5H
InChIKeyFBXIDUBPVSFULX-UHFFFAOYSA-N
MW312.65 g/mol
LogP4.51
Rot. Bonds1

About 4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline

4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline (PubChem CID 114590924) has the molecular formula C14H5ClF4N2 and a molecular weight of 312.65 g/mol. Its IUPAC name is 4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline
PubChem CID114590924
Molecular FormulaC14H5ClF4N2
Molecular Weight312.65 g/mol
Exact Mass312.01
IUPAC Name4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline
SMILESFc1cc(F)c2nc(-c3c(F)cccc3F)nc(Cl)c2c1
InChIInChI=1S/C14H5ClF4N2/c15-13-7-4-6(16)5-10(19)12(7)20-14(21-13)11-8(17)2-1-3-9(11)18/h1-5H
InChIKeyFBXIDUBPVSFULX-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.65
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684
4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline
CID 114590403
4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
CID 114591658
4-chloro-8-fluoro-2-phenylquinazoline
CID 114590404
4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114590823
4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
CID 63614541
8-bromo-4-chloro-2-(2,4-difluorophenyl)quinazoline
CID 114590744
3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590420
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638
2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline
CID 114590475
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline?
The IUPAC name of 4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline (CID 114590924) is 4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline.
What is the SMILES notation for 4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline?
The canonical SMILES for 4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline is Fc1cc(F)c2nc(-c3c(F)cccc3F)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline?
The InChIKey is FBXIDUBPVSFULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5ClF4N2/c15-13-7-4-6(16)5-10(19)12(7)20-14(21-13)11-8(17)2-1-3-9(11)18/h1-5H.
What are the key properties of 4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline?
4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline has a molecular weight of 312.65 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline is sourced from PubChem (CID 114590924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).