7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one

C20H15NO6 — CID 99986944

IUPAC7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one
SMILESCOc1ccc2cc([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)[nH]c2c1
InChIInChI=1S/C20H15NO6/c1-24-11-3-2-10-4-14(20(23)21-15(10)5-11)12-7-19(22)27-16-8-18-17(6-13(12)16)25-9-26-18/h2-6,8,12H,7,9H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyJCDIBPXGLQOHID-GFCCVEGCSA-N
MW365.34 g/mol
LogP2.71
Rot. Bonds2

About 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one

7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one (PubChem CID 99986944) has the molecular formula C20H15NO6 and a molecular weight of 365.34 g/mol. Its IUPAC name is 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one
PubChem CID99986944
Molecular FormulaC20H15NO6
Molecular Weight365.34 g/mol
Exact Mass365.09
IUPAC Name7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one
SMILESCOc1ccc2cc([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)[nH]c2c1
InChIInChI=1S/C20H15NO6/c1-24-11-3-2-10-4-14(20(23)21-15(10)5-11)12-7-19(22)27-16-8-18-17(6-13(12)16)25-9-26-18/h2-6,8,12H,7,9H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyJCDIBPXGLQOHID-GFCCVEGCSA-N
XLogP2.71
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125430529
(8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 99996095
(2E,9S)-9-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99998274
(6R)-6-(7-methoxy-2-oxo-1H-quinolin-3-yl)-8-methyl-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraene-4,12-dione
CID 125123140
(2Z,9R)-9-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122383
(10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99992163
(10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424990
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423819
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 75356706
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
7-[(4S)-6-acetyl-5-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 99994954
10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
CID 91636711

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one (CID 99986944) is 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one is COc1ccc2cc([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one?
The InChIKey is JCDIBPXGLQOHID-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H15NO6/c1-24-11-3-2-10-4-14(20(23)21-15(10)5-11)12-7-19(22)27-16-8-18-17(6-13(12)16)25-9-26-18/h2-6,8,12H,7,9H2,1H3,(H,21,23)/t12-/m1/s1.
What are the key properties of 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one?
7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one has a molecular weight of 365.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one is sourced from PubChem (CID 99986944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).