6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C20H17FN2O2S — CID 60528709

IUPAC6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccc(-c2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-2-25-14-6-3-12(4-7-14)20-23-18(11-26-20)15-9-13-5-8-19(24)22-17(13)10-16(15)21/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,22,24)
InChIKeyOJFUCINADVRLTR-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.90
Rot. Bonds4

About 6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 60528709) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID60528709
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccc(-c2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-2-25-14-6-3-12(4-7-14)20-23-18(11-26-20)15-9-13-5-8-19(24)22-17(13)10-16(15)21/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,22,24)
InChIKeyOJFUCINADVRLTR-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 60528709) is 6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is CCOc1ccc(-c2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)cc1.
What is the InChIKey of 6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OJFUCINADVRLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-2-25-14-6-3-12(4-7-14)20-23-18(11-26-20)15-9-13-5-8-19(24)22-17(13)10-16(15)21/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,22,24).
What are the key properties of 6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 368.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 60528709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).