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

C17H14ClNO3 — CID 3158473

IUPAC9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=C1CC(c2cccc(Cl)c2)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C17H14ClNO3/c18-11-3-1-2-10(6-11)12-8-17(20)19-14-9-16-15(7-13(12)14)21-4-5-22-16/h1-3,6-7,9,12H,4-5,8H2,(H,19,20)
InChIKeyARERPZRORZFENR-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.59
Rot. Bonds1

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

9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 3158473) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID3158473
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=C1CC(c2cccc(Cl)c2)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C17H14ClNO3/c18-11-3-1-2-10(6-11)12-8-17(20)19-14-9-16-15(7-13(12)14)21-4-5-22-16/h1-3,6-7,9,12H,4-5,8H2,(H,19,20)
InChIKeyARERPZRORZFENR-UHFFFAOYSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 3158473) is 9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is O=C1CC(c2cccc(Cl)c2)c2cc3c(cc2N1)OCCO3.
What is the InChIKey of 9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is ARERPZRORZFENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-11-3-1-2-10(6-11)12-8-17(20)19-14-9-16-15(7-13(12)14)21-4-5-22-16/h1-3,6-7,9,12H,4-5,8H2,(H,19,20).
What are the key properties of 9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 315.76 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 3158473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).