7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine

C21H24N2O4 — CID 71533224

IUPAC7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine
SMILESCCOc1ccc2cc(Cc3cc(OC)c(OC)c(OC)c3)cnc2c1N
InChIInChI=1S/C21H24N2O4/c1-5-27-16-7-6-15-9-14(12-23-20(15)19(16)22)8-13-10-17(24-2)21(26-4)18(11-13)25-3/h6-7,9-12H,5,8,22H2,1-4H3
InChIKeyUSRZUIJSSKCLKD-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.83
Rot. Bonds7

About 7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine

7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine (PubChem CID 71533224) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine
PubChem CID71533224
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine
SMILESCCOc1ccc2cc(Cc3cc(OC)c(OC)c(OC)c3)cnc2c1N
InChIInChI=1S/C21H24N2O4/c1-5-27-16-7-6-15-9-14(12-23-20(15)19(16)22)8-13-10-17(24-2)21(26-4)18(11-13)25-3/h6-7,9-12H,5,8,22H2,1-4H3
InChIKeyUSRZUIJSSKCLKD-UHFFFAOYSA-N
XLogP3.83
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine?
The IUPAC name of 7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine (CID 71533224) is 7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine?
The canonical SMILES for 7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine is CCOc1ccc2cc(Cc3cc(OC)c(OC)c(OC)c3)cnc2c1N.
What is the InChIKey of 7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine?
The InChIKey is USRZUIJSSKCLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-5-27-16-7-6-15-9-14(12-23-20(15)19(16)22)8-13-10-17(24-2)21(26-4)18(11-13)25-3/h6-7,9-12H,5,8,22H2,1-4H3.
What are the key properties of 7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine?
7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine has a molecular weight of 368.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 71533224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).