9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C17H13NO3 — CID 723252

IUPAC9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=c1cc(-c2ccccc2)c2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C17H13NO3/c19-17-9-12(11-4-2-1-3-5-11)13-8-15-16(10-14(13)18-17)21-7-6-20-15/h1-5,8-10H,6-7H2,(H,18,19)
InChIKeyNQXLDZVBZLPYHK-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.97
Rot. Bonds1

About 9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 723252) has the molecular formula C17H13NO3 and a molecular weight of 279.29 g/mol. Its IUPAC name is 9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID723252
Molecular FormulaC17H13NO3
Molecular Weight279.29 g/mol
Exact Mass279.09
IUPAC Name9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=c1cc(-c2ccccc2)c2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C17H13NO3/c19-17-9-12(11-4-2-1-3-5-11)13-8-15-16(10-14(13)18-17)21-7-6-20-15/h1-5,8-10H,6-7H2,(H,18,19)
InChIKeyNQXLDZVBZLPYHK-UHFFFAOYSA-N
XLogP2.97
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 723252) is 9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is O=c1cc(-c2ccccc2)c2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is NQXLDZVBZLPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-17-9-12(11-4-2-1-3-5-11)13-8-15-16(10-14(13)18-17)21-7-6-20-15/h1-5,8-10H,6-7H2,(H,18,19).
What are the key properties of 9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 279.29 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 723252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).