2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline

C16H8ClFN2S — CID 114590475

IUPAC2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline
SMILESFc1cccc2c(Cl)nc(-c3cc4ccccc4s3)nc12
InChIInChI=1S/C16H8ClFN2S/c17-15-10-5-3-6-11(18)14(10)19-16(20-15)13-8-9-4-1-2-7-12(9)21-13/h1-8H
InChIKeyFDBSWQXEVXAOAL-UHFFFAOYSA-N
MW314.77 g/mol
LogP5.30
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline

2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline (PubChem CID 114590475) has the molecular formula C16H8ClFN2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline
PubChem CID114590475
Molecular FormulaC16H8ClFN2S
Molecular Weight314.77 g/mol
Exact Mass314.01
IUPAC Name2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline
SMILESFc1cccc2c(Cl)nc(-c3cc4ccccc4s3)nc12
InChIInChI=1S/C16H8ClFN2S/c17-15-10-5-3-6-11(18)14(10)19-16(20-15)13-8-9-4-1-2-7-12(9)21-13/h1-8H
InChIKeyFDBSWQXEVXAOAL-UHFFFAOYSA-N
XLogP5.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.77
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine
CID 59130375
4-chloro-8-fluoro-2-phenylquinazoline
CID 114590404
4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline
CID 114590403
3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590420
2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine
CID 64983298
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
2-bromo-4-chloro-8-fluoroquinazoline
CID 84806834
4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline
CID 114590924
4-chloro-8-fluoro-2-(2-fluoro-4-methoxyphenyl)quinazoline
CID 102882508
4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684
2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146186744
4-chloro-2-(5-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591312

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline (CID 114590475) is 2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline is Fc1cccc2c(Cl)nc(-c3cc4ccccc4s3)nc12.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline?
The InChIKey is FDBSWQXEVXAOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN2S/c17-15-10-5-3-6-11(18)14(10)19-16(20-15)13-8-9-4-1-2-7-12(9)21-13/h1-8H.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline?
2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline has a molecular weight of 314.77 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline is sourced from PubChem (CID 114590475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).