(8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol

C21H23N3O2 — CID 143110134

IUPAC(8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
SMILESCC1(C)Oc2cc3nccnc3cc2C(NCCc2ccccc2)[C@H]1O
InChIInChI=1S/C21H23N3O2/c1-21(2)20(25)19(24-9-8-14-6-4-3-5-7-14)15-12-16-17(13-18(15)26-21)23-11-10-22-16/h3-7,10-13,19-20,24-25H,8-9H2,1-2H3/t19?,20-/m1/s1
InChIKeyZELBDNYRCFQHLE-GFOWMXPYSA-N
MW349.43 g/mol
LogP3.04
Rot. Bonds4

About (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol

(8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol (PubChem CID 143110134) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol.

Molecular Properties

Compound Name(8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
PubChem CID143110134
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
SMILESCC1(C)Oc2cc3nccnc3cc2C(NCCc2ccccc2)[C@H]1O
InChIInChI=1S/C21H23N3O2/c1-21(2)20(25)19(24-9-8-14-6-4-3-5-7-14)15-12-16-17(13-18(15)26-21)23-11-10-22-16/h3-7,10-13,19-20,24-25H,8-9H2,1-2H3/t19?,20-/m1/s1
InChIKeyZELBDNYRCFQHLE-GFOWMXPYSA-N
XLogP3.04
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol?
The IUPAC name of (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol (CID 143110134) is (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol.
What is the SMILES notation for (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol?
The canonical SMILES for (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol is CC1(C)Oc2cc3nccnc3cc2C(NCCc2ccccc2)[C@H]1O.
What is the InChIKey of (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol?
The InChIKey is ZELBDNYRCFQHLE-GFOWMXPYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2)20(25)19(24-9-8-14-6-4-3-5-7-14)15-12-16-17(13-18(15)26-21)23-11-10-22-16/h3-7,10-13,19-20,24-25H,8-9H2,1-2H3/t19?,20-/m1/s1.
What are the key properties of (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol?
(8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol has a molecular weight of 349.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol is sourced from PubChem (CID 143110134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).