10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione

C24H21NO6 — CID 91636711

IUPAC10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
SMILESCOc1ccc2[nH]c(=O)c(C3CC(=O)Oc4ccc5c(c43)OC(C)(C)CC5=O)cc2c1
InChIInChI=1S/C24H21NO6/c1-24(2)11-18(26)14-5-7-19-21(22(14)31-24)15(10-20(27)30-19)16-9-12-8-13(29-3)4-6-17(12)25-23(16)28/h4-9,15H,10-11H2,1-3H3,(H,25,28)
InChIKeyKSIIEYSAGXUPMQ-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.72
Rot. Bonds2

About 10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione

10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione (PubChem CID 91636711) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is 10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
PubChem CID91636711
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
SMILESCOc1ccc2[nH]c(=O)c(C3CC(=O)Oc4ccc5c(c43)OC(C)(C)CC5=O)cc2c1
InChIInChI=1S/C24H21NO6/c1-24(2)11-18(26)14-5-7-19-21(22(14)31-24)15(10-20(27)30-19)16-9-12-8-13(29-3)4-6-17(12)25-23(16)28/h4-9,15H,10-11H2,1-3H3,(H,25,28)
InChIKeyKSIIEYSAGXUPMQ-UHFFFAOYSA-N
XLogP3.72
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione with MolForge

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Related Compounds

(2E)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564708
2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
CID 91638157
(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110207267
(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
(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
(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
(10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125429211
(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122705
2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163091631
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127253029
2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163089443
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99998041

Frequently Asked Questions

What is the IUPAC name of 10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of 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) is 10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for 10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for 10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione is COc1ccc2[nH]c(=O)c(C3CC(=O)Oc4ccc5c(c43)OC(C)(C)CC5=O)cc2c1.
What is the InChIKey of 10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
The InChIKey is KSIIEYSAGXUPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-24(2)11-18(26)14-5-7-19-21(22(14)31-24)15(10-20(27)30-19)16-9-12-8-13(29-3)4-6-17(12)25-23(16)28/h4-9,15H,10-11H2,1-3H3,(H,25,28).
What are the key properties of 10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione has a molecular weight of 419.43 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 91636711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).