9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one

C20H13NO4 — CID 178046081

IUPAC9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
SMILESO=c1cc(-c2ccc3ncccc3c2)oc2c3c(ccc12)OCCO3
InChIInChI=1S/C20H13NO4/c22-16-11-18(13-3-5-15-12(10-13)2-1-7-21-15)25-19-14(16)4-6-17-20(19)24-9-8-23-17/h1-7,10-11H,8-9H2
InChIKeyLEOBNWYLURNFFP-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.78
Rot. Bonds1

About 9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one

9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one (PubChem CID 178046081) has the molecular formula C20H13NO4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one.

Molecular Properties

Compound Name9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
PubChem CID178046081
Molecular FormulaC20H13NO4
Molecular Weight331.33 g/mol
Exact Mass331.08
IUPAC Name9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
SMILESO=c1cc(-c2ccc3ncccc3c2)oc2c3c(ccc12)OCCO3
InChIInChI=1S/C20H13NO4/c22-16-11-18(13-3-5-15-12(10-13)2-1-7-21-15)25-19-14(16)4-6-17-20(19)24-9-8-23-17/h1-7,10-11H,8-9H2
InChIKeyLEOBNWYLURNFFP-UHFFFAOYSA-N
XLogP3.78
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-methoxy-4-oxo-2-quinolin-6-ylchromen-7-yl)oxy-N-methylacetamide;9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 178046162
2-quinolin-6-ylpyrano[2,3-b]pyridin-4-one
CID 141323128
9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 178046051
7-quinolin-6-yl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 69167722
2-quinolin-6-yl-4,5-dihydro-1,3-oxazole
CID 174566262
7-quinolin-6-yl-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779212
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
CID 984016
2-(1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
CID 11834369
8-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-9-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 984023
20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one
CID 15667963
10-phenylpyrano[3,2-i][1,3,5]benzotrioxepine-2,4,8-trione
CID 90117549
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99994284

Frequently Asked Questions

What is the IUPAC name of 9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one?
The IUPAC name of 9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one (CID 178046081) is 9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one.
What is the SMILES notation for 9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one?
The canonical SMILES for 9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one is O=c1cc(-c2ccc3ncccc3c2)oc2c3c(ccc12)OCCO3.
What is the InChIKey of 9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one?
The InChIKey is LEOBNWYLURNFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4/c22-16-11-18(13-3-5-15-12(10-13)2-1-7-21-15)25-19-14(16)4-6-17-20(19)24-9-8-23-17/h1-7,10-11H,8-9H2.
What are the key properties of 9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one?
9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one has a molecular weight of 331.33 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one is sourced from PubChem (CID 178046081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).