(4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one

C17H22N2O5 — CID 7263915

IUPAC(4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one
SMILESCON1[C@@H]2CCCC[C@@H]2N(OC)[C@@]2(O)c3ccccc3C(=O)[C@]12O
InChIInChI=1S/C17H22N2O5/c1-23-18-13-9-5-6-10-14(13)19(24-2)17(22)15(20)11-7-3-4-8-12(11)16(17,18)21/h3-4,7-8,13-14,21-22H,5-6,9-10H2,1-2H3/t13-,14+,16+,17+/m0/s1
InChIKeyXLUDUVAAONQGDN-XOSAIJSUSA-N
MW334.37 g/mol
LogP0.77
Rot. Bonds2

About (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one

(4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one (PubChem CID 7263915) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one.

Molecular Properties

Compound Name(4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one
PubChem CID7263915
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one
SMILESCON1[C@@H]2CCCC[C@@H]2N(OC)[C@@]2(O)c3ccccc3C(=O)[C@]12O
InChIInChI=1S/C17H22N2O5/c1-23-18-13-9-5-6-10-14(13)19(24-2)17(22)15(20)11-7-3-4-8-12(11)16(17,18)21/h3-4,7-8,13-14,21-22H,5-6,9-10H2,1-2H3/t13-,14+,16+,17+/m0/s1
InChIKeyXLUDUVAAONQGDN-XOSAIJSUSA-N
XLogP0.77
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one?
The IUPAC name of (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one (CID 7263915) is (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one.
What is the SMILES notation for (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one?
The canonical SMILES for (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one is CON1[C@@H]2CCCC[C@@H]2N(OC)[C@@]2(O)c3ccccc3C(=O)[C@]12O.
What is the InChIKey of (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one?
The InChIKey is XLUDUVAAONQGDN-XOSAIJSUSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-23-18-13-9-5-6-10-14(13)19(24-2)17(22)15(20)11-7-3-4-8-12(11)16(17,18)21/h3-4,7-8,13-14,21-22H,5-6,9-10H2,1-2H3/t13-,14+,16+,17+/m0/s1.
What are the key properties of (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one?
(4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one has a molecular weight of 334.37 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,5aS,9aR,10aS)-4b,10a-dihydroxy-5,10-dimethoxy-5a,6,7,8,9,9a-hexahydroindeno[1,2-b]quinoxalin-11-one is sourced from PubChem (CID 7263915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).