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

C18H22ClNO6 — CID 24835893

IUPAC1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride
SMILESCOc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12.Cl
InChIInChI=1S/C18H21NO6.ClH/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3;/h5-8,13,20-21H,9H2,1-4H3;1H
InChIKeyMPWMBDHFURIQSR-UHFFFAOYSA-N
MW383.83 g/mol
LogP2.93
Rot. Bonds6

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

1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride (PubChem CID 24835893) has the molecular formula C18H22ClNO6 and a molecular weight of 383.83 g/mol. Its IUPAC name is 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride.

Molecular Properties

Compound Name1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride
PubChem CID24835893
Molecular FormulaC18H22ClNO6
Molecular Weight383.83 g/mol
Exact Mass383.11
IUPAC Name1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride
SMILESCOc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12.Cl
InChIInChI=1S/C18H21NO6.ClH/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3;/h5-8,13,20-21H,9H2,1-4H3;1H
InChIKeyMPWMBDHFURIQSR-UHFFFAOYSA-N
XLogP2.93
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride?
The IUPAC name of 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride (CID 24835893) is 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride.
What is the SMILES notation for 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride?
The canonical SMILES for 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride is COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12.Cl.
What is the InChIKey of 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride?
The InChIKey is MPWMBDHFURIQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6.ClH/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3;/h5-8,13,20-21H,9H2,1-4H3;1H.
What are the key properties of 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride?
1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride has a molecular weight of 383.83 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol;hydrochloride is sourced from PubChem (CID 24835893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).