6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

C20H22N2O5 — CID 5330475

IUPAC6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
SMILESCOc1cc2nccc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
InChIKeyVYPGLYMWNDRFGZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.02
Rot. Bonds7

About 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine (PubChem CID 5330475) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
PubChem CID5330475
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
SMILESCOc1cc2nccc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
InChIKeyVYPGLYMWNDRFGZ-UHFFFAOYSA-N
XLogP4.02
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine (CID 5330475) is 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine is COc1cc2nccc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The InChIKey is VYPGLYMWNDRFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22).
What are the key properties of 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine has a molecular weight of 370.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 5330475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).