(2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one

C19H16N2O4 — CID 98545134

IUPAC(2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCc1cc2c(cc1C)NC1=C(N2)O[C@H](c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C19H16N2O4/c1-9-5-12-13(6-10(9)2)21-19-16(20-12)17(22)18(25-19)11-3-4-14-15(7-11)24-8-23-14/h3-7,18,20-21H,8H2,1-2H3/t18-/m1/s1
InChIKeyJBTKMRZSRKKDMN-GOSISDBHSA-N
MW336.35 g/mol
LogP3.38
Rot. Bonds1

About (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one

(2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 98545134) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
PubChem CID98545134
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCc1cc2c(cc1C)NC1=C(N2)O[C@H](c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C19H16N2O4/c1-9-5-12-13(6-10(9)2)21-19-16(20-12)17(22)18(25-19)11-3-4-14-15(7-11)24-8-23-14/h3-7,18,20-21H,8H2,1-2H3/t18-/m1/s1
InChIKeyJBTKMRZSRKKDMN-GOSISDBHSA-N
XLogP3.38
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one with MolForge

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Related Compounds

2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one
CID 82996970
(1R,3aR,4S,6aS)-1,4-bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 92542340
2-(1,3-benzodioxol-5-yl)cyclopentane-1,3-dione
CID 121015997
dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 704243
4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 3074794
(2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-2H-furan-5-one
CID 723635
(8S)-8-(1,3-benzodioxol-5-yl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 92846250
cis-(1R,3S)-3-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropan-1-amine
CID 178199727
(2R,3R)-2-(1,3-benzodioxol-5-yl)-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol
CID 101248077
(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
CID 749249
4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
CID 79962095
(4S)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 707554

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 98545134) is (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is Cc1cc2c(cc1C)NC1=C(N2)O[C@H](c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The InChIKey is JBTKMRZSRKKDMN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-9-5-12-13(6-10(9)2)21-19-16(20-12)17(22)18(25-19)11-3-4-14-15(7-11)24-8-23-14/h3-7,18,20-21H,8H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
(2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one has a molecular weight of 336.35 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 98545134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).