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

C16H16FNO2S — CID 79975363

IUPAC6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1ccsc1C(O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H16FNO2S/c1-2-9-5-6-21-16(9)15(20)11-7-10-3-4-14(19)18-13(10)8-12(11)17/h5-8,15,20H,2-4H2,1H3,(H,18,19)
InChIKeyUMPSZHCZPIMLNU-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.42
Rot. Bonds3

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

6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 79975363) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID79975363
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1ccsc1C(O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H16FNO2S/c1-2-9-5-6-21-16(9)15(20)11-7-10-3-4-14(19)18-13(10)8-12(11)17/h5-8,15,20H,2-4H2,1H3,(H,18,19)
InChIKeyUMPSZHCZPIMLNU-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 79975363) is 6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is CCc1ccsc1C(O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UMPSZHCZPIMLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-2-9-5-6-21-16(9)15(20)11-7-10-3-4-14(19)18-13(10)8-12(11)17/h5-8,15,20H,2-4H2,1H3,(H,18,19).
What are the key properties of 6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 305.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 79975363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).