(9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C17H13F2NO3 — CID 1256796

IUPAC(9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=C1C[C@@H](c2cc(F)ccc2F)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C17H13F2NO3/c18-9-1-2-13(19)11(5-9)10-7-17(21)20-14-8-16-15(6-12(10)14)22-3-4-23-16/h1-2,5-6,8,10H,3-4,7H2,(H,20,21)/t10-/m0/s1
InChIKeyBFCDHPVOUIJAJW-JTQLQIEISA-N
MW317.29 g/mol
LogP3.21
Rot. Bonds1

About (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

(9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 1256796) has the molecular formula C17H13F2NO3 and a molecular weight of 317.29 g/mol. Its IUPAC name is (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name(9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID1256796
Molecular FormulaC17H13F2NO3
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Name(9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=C1C[C@@H](c2cc(F)ccc2F)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C17H13F2NO3/c18-9-1-2-13(19)11(5-9)10-7-17(21)20-14-8-16-15(6-12(10)14)22-3-4-23-16/h1-2,5-6,8,10H,3-4,7H2,(H,20,21)/t10-/m0/s1
InChIKeyBFCDHPVOUIJAJW-JTQLQIEISA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one with MolForge

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Related Compounds

(9R)-9-(5-bromo-2-fluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1289584
8-(4-fluoro-2-hydroxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50948929
8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 169416777
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 6462277
(9R)-9-(2-chloro-6-fluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1251396
(9R)-9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1256572
9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2978934
9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3158473
(9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1250110
(9R)-9-(3-bromophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1094693
9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 4078264
9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2984139

Frequently Asked Questions

What is the IUPAC name of (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 1256796) is (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is O=C1C[C@@H](c2cc(F)ccc2F)c2cc3c(cc2N1)OCCO3.
What is the InChIKey of (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is BFCDHPVOUIJAJW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13F2NO3/c18-9-1-2-13(19)11(5-9)10-7-17(21)20-14-8-16-15(6-12(10)14)22-3-4-23-16/h1-2,5-6,8,10H,3-4,7H2,(H,20,21)/t10-/m0/s1.
What are the key properties of (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
(9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 317.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 1256796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).