7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C15H14FNO2S — CID 61080894

IUPAC7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccsc1C(O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H14FNO2S/c1-8-4-5-20-15(8)14(19)10-6-9-2-3-13(18)17-12(9)7-11(10)16/h4-7,14,19H,2-3H2,1H3,(H,17,18)
InChIKeyHDZWTNCJIFEAPA-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.16
Rot. Bonds2

About 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61080894) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61080894
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccsc1C(O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H14FNO2S/c1-8-4-5-20-15(8)14(19)10-6-9-2-3-13(18)17-12(9)7-11(10)16/h4-7,14,19H,2-3H2,1H3,(H,17,18)
InChIKeyHDZWTNCJIFEAPA-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61080894) is 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccsc1C(O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HDZWTNCJIFEAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-8-4-5-20-15(8)14(19)10-6-9-2-3-13(18)17-12(9)7-11(10)16/h4-7,14,19H,2-3H2,1H3,(H,17,18).
What are the key properties of 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61080894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).