3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one

C19H12F3N3OS — CID 134129911

IUPAC3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one
SMILESNc1ncc(-c2cn(Cc3ccc(F)cc3)c3c(F)cc(F)cc3c2=O)s1
InChIInChI=1S/C19H12F3N3OS/c20-11-3-1-10(2-4-11)8-25-9-14(16-7-24-19(23)27-16)18(26)13-5-12(21)6-15(22)17(13)25/h1-7,9H,8H2,(H2,23,24)
InChIKeyRSRKQKVNDJVABT-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.17
Rot. Bonds3

About 3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one

3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one (PubChem CID 134129911) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one
PubChem CID134129911
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Name3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one
SMILESNc1ncc(-c2cn(Cc3ccc(F)cc3)c3c(F)cc(F)cc3c2=O)s1
InChIInChI=1S/C19H12F3N3OS/c20-11-3-1-10(2-4-11)8-25-9-14(16-7-24-19(23)27-16)18(26)13-5-12(21)6-15(22)17(13)25/h1-7,9H,8H2,(H2,23,24)
InChIKeyRSRKQKVNDJVABT-UHFFFAOYSA-N
XLogP4.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one (CID 134129911) is 3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one is Nc1ncc(-c2cn(Cc3ccc(F)cc3)c3c(F)cc(F)cc3c2=O)s1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one?
The InChIKey is RSRKQKVNDJVABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c20-11-3-1-10(2-4-11)8-25-9-14(16-7-24-19(23)27-16)18(26)13-5-12(21)6-15(22)17(13)25/h1-7,9H,8H2,(H2,23,24).
What are the key properties of 3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one?
3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one has a molecular weight of 387.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-5-yl)-6,8-difluoro-1-[(4-fluorophenyl)methyl]quinolin-4-one is sourced from PubChem (CID 134129911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).