(2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol

C19H17N3O3 — CID 101424265

IUPAC(2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2c3ccccc3c3nc4ccccc4nc32)C[C@@H]1O
InChIInChI=1S/C19H17N3O3/c23-10-16-15(24)9-17(25-16)22-14-8-4-1-5-11(14)18-19(22)21-13-7-3-2-6-12(13)20-18/h1-8,15-17,23-24H,9-10H2/t15-,16+,17+/m0/s1
InChIKeyQQBITHZDKHUMDF-GVDBMIGSSA-N
MW335.36 g/mol
LogP2.38
Rot. Bonds2

About (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol

(2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol (PubChem CID 101424265) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol
PubChem CID101424265
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2c3ccccc3c3nc4ccccc4nc32)C[C@@H]1O
InChIInChI=1S/C19H17N3O3/c23-10-16-15(24)9-17(25-16)22-14-8-4-1-5-11(14)18-19(22)21-13-7-3-2-6-12(13)20-18/h1-8,15-17,23-24H,9-10H2/t15-,16+,17+/m0/s1
InChIKeyQQBITHZDKHUMDF-GVDBMIGSSA-N
XLogP2.38
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol with MolForge

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Related Compounds

5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154716723
5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-12H-quinolino[2,3-b]acridine-7,14-dione
CID 89244582
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(phenanthren-2-ylamino)-1H-purin-6-one
CID 135625296
(2R,3S,5R)-5-[6-(benzotriazol-1-yloxy)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 86643433
5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 21202641
(2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921447
(2R,3S,5R)-2-(hydroxymethyl)-5-(12,14,16,18-tetrazapentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(19),2,4,6,8,10,13(20),14,16-nonaen-18-yl)oxolan-3-ol
CID 177433422
2,8-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 161116161
(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 163296362
(2R,3S,5R)-5-(4-aminobenzotriazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 639409
(2S,3R,5R)-5-(6,8-dibromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921424
(2R,3S,5R)-5-[6-(2-anthracen-9-ylethynyl)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 102111496

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol?
The IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol (CID 101424265) is (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol is OC[C@H]1O[C@@H](n2c3ccccc3c3nc4ccccc4nc32)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol?
The InChIKey is QQBITHZDKHUMDF-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-10-16-15(24)9-17(25-16)22-14-8-4-1-5-11(14)18-19(22)21-13-7-3-2-6-12(13)20-18/h1-8,15-17,23-24H,9-10H2/t15-,16+,17+/m0/s1.
What are the key properties of (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol?
(2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol has a molecular weight of 335.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol is sourced from PubChem (CID 101424265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).