(2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol

C18H21NO6 — CID 162910187

IUPAC(2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol
SMILESCOc1ccc2c(OC[C@H](O)C(C)(C)O)c3ccoc3nc2c1OC
InChIInChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-15-10-5-6-12(22-3)16(23-4)14(10)19-17-11(15)7-8-24-17/h5-8,13,20-21H,9H2,1-4H3/t13-/m0/s1
InChIKeyQUIIBKTWWDGMCW-ZDUSSCGKSA-N
MW347.37 g/mol
LogP2.51
Rot. Bonds6

About (2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol

(2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol (PubChem CID 162910187) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name(2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol
PubChem CID162910187
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol
SMILESCOc1ccc2c(OC[C@H](O)C(C)(C)O)c3ccoc3nc2c1OC
InChIInChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-15-10-5-6-12(22-3)16(23-4)14(10)19-17-11(15)7-8-24-17/h5-8,13,20-21H,9H2,1-4H3/t13-/m0/s1
InChIKeyQUIIBKTWWDGMCW-ZDUSSCGKSA-N
XLogP2.51
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol?
The IUPAC name of (2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol (CID 162910187) is (2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol.
What is the SMILES notation for (2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol?
The canonical SMILES for (2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol is COc1ccc2c(OC[C@H](O)C(C)(C)O)c3ccoc3nc2c1OC.
What is the InChIKey of (2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol?
The InChIKey is QUIIBKTWWDGMCW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-15-10-5-6-12(22-3)16(23-4)14(10)19-17-11(15)7-8-24-17/h5-8,13,20-21H,9H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol?
(2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol has a molecular weight of 347.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7,8-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol is sourced from PubChem (CID 162910187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).