6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine

C19H20N2O5 — CID 54578669

IUPAC6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine
SMILESCOc1cc(Oc2ccc3c(N)c(OC)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O5/c1-22-14-7-6-13-12(18(14)20)5-8-17(21-13)26-11-9-15(23-2)19(25-4)16(10-11)24-3/h5-10H,20H2,1-4H3
InChIKeyYNQZIMHBBLTESS-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.64
Rot. Bonds6

About 6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine

6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine (PubChem CID 54578669) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine.

Molecular Properties

Compound Name6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine
PubChem CID54578669
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine
SMILESCOc1cc(Oc2ccc3c(N)c(OC)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O5/c1-22-14-7-6-13-12(18(14)20)5-8-17(21-13)26-11-9-15(23-2)19(25-4)16(10-11)24-3/h5-10H,20H2,1-4H3
InChIKeyYNQZIMHBBLTESS-UHFFFAOYSA-N
XLogP3.64
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine?
The IUPAC name of 6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine (CID 54578669) is 6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine.
What is the SMILES notation for 6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine?
The canonical SMILES for 6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine is COc1cc(Oc2ccc3c(N)c(OC)ccc3n2)cc(OC)c1OC.
What is the InChIKey of 6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine?
The InChIKey is YNQZIMHBBLTESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-22-14-7-6-13-12(18(14)20)5-8-17(21-13)26-11-9-15(23-2)19(25-4)16(10-11)24-3/h5-10H,20H2,1-4H3.
What are the key properties of 6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine?
6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine has a molecular weight of 356.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3,4,5-trimethoxyphenoxy)quinolin-5-amine is sourced from PubChem (CID 54578669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).