4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline

C12H3Cl4FN2S — CID 107960395

IUPAC4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline
SMILESFc1ccc(Cl)c2c(Cl)nc(-c3cc(Cl)sc3Cl)nc12
InChIInChI=1S/C12H3Cl4FN2S/c13-5-1-2-6(17)9-8(5)10(15)19-12(18-9)4-3-7(14)20-11(4)16/h1-3H
InChIKeyJQZICNUPWAAVSC-UHFFFAOYSA-N
MW368.05 g/mol
LogP6.11
Rot. Bonds1

About 4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline

4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline (PubChem CID 107960395) has the molecular formula C12H3Cl4FN2S and a molecular weight of 368.05 g/mol. Its IUPAC name is 4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline.

Molecular Properties

Compound Name4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline
PubChem CID107960395
Molecular FormulaC12H3Cl4FN2S
Molecular Weight368.05 g/mol
Exact Mass365.88
IUPAC Name4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline
SMILESFc1ccc(Cl)c2c(Cl)nc(-c3cc(Cl)sc3Cl)nc12
InChIInChI=1S/C12H3Cl4FN2S/c13-5-1-2-6(17)9-8(5)10(15)19-12(18-9)4-3-7(14)20-11(4)16/h1-3H
InChIKeyJQZICNUPWAAVSC-UHFFFAOYSA-N
XLogP6.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.05
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-8-fluoro-2-phenylquinazoline
CID 114590069
5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline
CID 107960438
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
4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
CID 107096285
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
CID 114021122
5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline
CID 114591139
4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine
CID 131186384
2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline
CID 114591476
2,3,5-trichloro-8-fluoroquinoxaline
CID 154727490
5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 63462330

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline?
The IUPAC name of 4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline (CID 107960395) is 4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline.
What is the SMILES notation for 4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline?
The canonical SMILES for 4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline is Fc1ccc(Cl)c2c(Cl)nc(-c3cc(Cl)sc3Cl)nc12.
What is the InChIKey of 4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline?
The InChIKey is JQZICNUPWAAVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3Cl4FN2S/c13-5-1-2-6(17)9-8(5)10(15)19-12(18-9)4-3-7(14)20-11(4)16/h1-3H.
What are the key properties of 4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline?
4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline has a molecular weight of 368.05 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline is sourced from PubChem (CID 107960395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).