7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C15H14FNO2S — CID 61080893

IUPAC7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C(O)c2cc3c(cc2F)NC(=O)CC3)s1
InChIInChI=1S/C15H14FNO2S/c1-8-2-4-13(20-8)15(19)10-6-9-3-5-14(18)17-12(9)7-11(10)16/h2,4,6-7,15,19H,3,5H2,1H3,(H,17,18)
InChIKeyDLYCFJYEYLAKOP-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.16
Rot. Bonds2

About 7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61080893) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61080893
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C(O)c2cc3c(cc2F)NC(=O)CC3)s1
InChIInChI=1S/C15H14FNO2S/c1-8-2-4-13(20-8)15(19)10-6-9-3-5-14(18)17-12(9)7-11(10)16/h2,4,6-7,15,19H,3,5H2,1H3,(H,17,18)
InChIKeyDLYCFJYEYLAKOP-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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61080893) is 7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(C(O)c2cc3c(cc2F)NC(=O)CC3)s1.
What is the InChIKey of 7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DLYCFJYEYLAKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-8-2-4-13(20-8)15(19)10-6-9-3-5-14(18)17-12(9)7-11(10)16/h2,4,6-7,15,19H,3,5H2,1H3,(H,17,18).
What are the key properties of 7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[hydroxy-(5-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-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61080893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).