8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one

C13H11NO4 — CID 50877398

IUPAC8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one
SMILESCOc1cccc2c3c(cnc12)C(=O)OCCO3
InChIInChI=1S/C13H11NO4/c1-16-10-4-2-3-8-11(10)14-7-9-12(8)17-5-6-18-13(9)15/h2-4,7H,5-6H2,1H3
InChIKeyOHVDCQNKYFVPFY-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.79
Rot. Bonds1

About 8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one

8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one (PubChem CID 50877398) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one.

Molecular Properties

Compound Name8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one
PubChem CID50877398
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one
SMILESCOc1cccc2c3c(cnc12)C(=O)OCCO3
InChIInChI=1S/C13H11NO4/c1-16-10-4-2-3-8-11(10)14-7-9-12(8)17-5-6-18-13(9)15/h2-4,7H,5-6H2,1H3
InChIKeyOHVDCQNKYFVPFY-UHFFFAOYSA-N
XLogP1.79
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one?
The IUPAC name of 8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one (CID 50877398) is 8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one.
What is the SMILES notation for 8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one?
The canonical SMILES for 8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one is COc1cccc2c3c(cnc12)C(=O)OCCO3.
What is the InChIKey of 8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one?
The InChIKey is OHVDCQNKYFVPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-16-10-4-2-3-8-11(10)14-7-9-12(8)17-5-6-18-13(9)15/h2-4,7H,5-6H2,1H3.
What are the key properties of 8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one?
8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one has a molecular weight of 245.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one is sourced from PubChem (CID 50877398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).