8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C17H14FNO4 — CID 169416777

IUPAC8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1ccc(F)c(C2CC(=O)Nc3cc4c(cc32)OCO4)c1
InChIInChI=1S/C17H14FNO4/c1-21-9-2-3-13(18)11(4-9)10-6-17(20)19-14-7-16-15(5-12(10)14)22-8-23-16/h2-5,7,10H,6,8H2,1H3,(H,19,20)
InChIKeyNWBYLWHMDZHSDC-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.04
Rot. Bonds2

About 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 169416777) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID169416777
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1ccc(F)c(C2CC(=O)Nc3cc4c(cc32)OCO4)c1
InChIInChI=1S/C17H14FNO4/c1-21-9-2-3-13(18)11(4-9)10-6-17(20)19-14-7-16-15(5-12(10)14)22-8-23-16/h2-5,7,10H,6,8H2,1H3,(H,19,20)
InChIKeyNWBYLWHMDZHSDC-UHFFFAOYSA-N
XLogP3.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one with MolForge

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Related Compounds

(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
(9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1256796
9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2984139
(9R)-9-(5-bromo-2-fluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1289584
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2973010
(8R)-8-(4-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 7248717
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
8-(4-fluoro-2-hydroxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50948929
9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2978934
(9R)-9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1256572
8-(3-chloro-4-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 17285471
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 6462277

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 169416777) is 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is COc1ccc(F)c(C2CC(=O)Nc3cc4c(cc32)OCO4)c1.
What is the InChIKey of 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is NWBYLWHMDZHSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-21-9-2-3-13(18)11(4-9)10-6-17(20)19-14-7-16-15(5-12(10)14)22-8-23-16/h2-5,7,10H,6,8H2,1H3,(H,19,20).
What are the key properties of 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 315.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 169416777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).