[5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol

C20H21NO5 — CID 127030572

IUPAC[5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol
SMILESCOc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C20H21NO5/c1-23-14-7-5-12(6-8-14)15-9-13(11-22)18-16(21-15)10-17(24-2)19(25-3)20(18)26-4/h5-10,22H,11H2,1-4H3
InChIKeyZWXKFXXHYPFGIN-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.43
Rot. Bonds6

About [5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol

[5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol (PubChem CID 127030572) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol
PubChem CID127030572
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol
SMILESCOc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C20H21NO5/c1-23-14-7-5-12(6-8-14)15-9-13(11-22)18-16(21-15)10-17(24-2)19(25-3)20(18)26-4/h5-10,22H,11H2,1-4H3
InChIKeyZWXKFXXHYPFGIN-UHFFFAOYSA-N
XLogP3.43
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol?
The IUPAC name of [5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol (CID 127030572) is [5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol.
What is the SMILES notation for [5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol?
The canonical SMILES for [5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol is COc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1.
What is the InChIKey of [5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol?
The InChIKey is ZWXKFXXHYPFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-23-14-7-5-12(6-8-14)15-9-13(11-22)18-16(21-15)10-17(24-2)19(25-3)20(18)26-4/h5-10,22H,11H2,1-4H3.
What are the key properties of [5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol?
[5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol has a molecular weight of 355.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6,7-trimethoxy-2-(4-methoxyphenyl)quinolin-4-yl]methanol is sourced from PubChem (CID 127030572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).