(2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one

C18H16N2O3 — CID 98103443

IUPAC(2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCc1cc2c(cc1C)NC1=C(N2)O[C@@H](c2cccc(O)c2)C1=O
InChIInChI=1S/C18H16N2O3/c1-9-6-13-14(7-10(9)2)20-18-15(19-13)16(22)17(23-18)11-4-3-5-12(21)8-11/h3-8,17,19-21H,1-2H3/t17-/m0/s1
InChIKeyILYRAUPNFIOSHV-KRWDZBQOSA-N
MW308.34 g/mol
LogP3.36
Rot. Bonds1

About (2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one

(2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 98103443) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

Compound Name(2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
PubChem CID98103443
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCc1cc2c(cc1C)NC1=C(N2)O[C@@H](c2cccc(O)c2)C1=O
InChIInChI=1S/C18H16N2O3/c1-9-6-13-14(7-10(9)2)20-18-15(19-13)16(22)17(23-18)11-4-3-5-12(21)8-11/h3-8,17,19-21H,1-2H3/t17-/m0/s1
InChIKeyILYRAUPNFIOSHV-KRWDZBQOSA-N
XLogP3.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The IUPAC name of (2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 98103443) is (2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.
What is the SMILES notation for (2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The canonical SMILES for (2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is Cc1cc2c(cc1C)NC1=C(N2)O[C@@H](c2cccc(O)c2)C1=O.
What is the InChIKey of (2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The InChIKey is ILYRAUPNFIOSHV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-9-6-13-14(7-10(9)2)20-18-15(19-13)16(22)17(23-18)11-4-3-5-12(21)8-11/h3-8,17,19-21H,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
(2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one has a molecular weight of 308.34 g/mol, XLogP of 3.36, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-hydroxyphenyl)-6,7-dimethyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 98103443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).