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

C42H31N3O9 — CID 178046162

IUPAC2-(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
SMILESCNC(=O)COc1ccc2c(=O)cc(-c3ccc4ncccc4c3)oc2c1OC.O=c1cc(-c2ccc3ncccc3c2)oc2c3c(ccc12)OCCO3
InChIInChI=1S/C22H18N2O5.C20H13NO4/c1-23-20(26)12-28-18-8-6-15-17(25)11-19(29-21(15)22(18)27-2)14-5-7-16-13(10-14)4-3-9-24-16;22-16-11-18(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/h3-11H,12H2,1-2H3,(H,23,26);1-7,10-11H,8-9H2
InChIKeyIUDGOMZEUPWMPT-UHFFFAOYSA-N
MW721.72 g/mol
LogP6.92
Rot. Bonds6

About 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

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 (PubChem CID 178046162) has the molecular formula C42H31N3O9 and a molecular weight of 721.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID178046162
Molecular FormulaC42H31N3O9
Molecular Weight721.72 g/mol
Exact Mass721.21
IUPAC Name2-(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
SMILESCNC(=O)COc1ccc2c(=O)cc(-c3ccc4ncccc4c3)oc2c1OC.O=c1cc(-c2ccc3ncccc3c2)oc2c3c(ccc12)OCCO3
InChIInChI=1S/C22H18N2O5.C20H13NO4/c1-23-20(26)12-28-18-8-6-15-17(25)11-19(29-21(15)22(18)27-2)14-5-7-16-13(10-14)4-3-9-24-16;22-16-11-18(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/h3-11H,12H2,1-2H3,(H,23,26);1-7,10-11H,8-9H2
InChIKeyIUDGOMZEUPWMPT-UHFFFAOYSA-N
XLogP6.92
TPSA152.22 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500721.72
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 178046081
2-(1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
CID 11834369
2-quinolin-6-ylpyrano[2,3-b]pyridin-4-one
CID 141323128
7-quinolin-6-yl-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779212
7-quinolin-6-yl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 69167722
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99994284
2-(3,4-dimethoxyphenyl)pyrano[2,3-b]pyridin-4-one
CID 53341624
9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 178046051
2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
CID 39226788
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
10-quinolin-6-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 91640457
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)COc1ccc2c(=O)cc(-c3ccc4ncccc4c3)oc2c1OC.O=c1cc(-c2ccc3ncccc3c2)oc2c3c(ccc12)OCCO3.
What is the InChIKey of 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?
The InChIKey is IUDGOMZEUPWMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5.C20H13NO4/c1-23-20(26)12-28-18-8-6-15-17(25)11-19(29-21(15)22(18)27-2)14-5-7-16-13(10-14)4-3-9-24-16;22-16-11-18(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/h3-11H,12H2,1-2H3,(H,23,26);1-7,10-11H,8-9H2.
What are the key properties of 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?
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 has a molecular weight of 721.72 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178046162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).