6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride

C19H21ClN2O2 — CID 2790764

IUPAC6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(OC)cc3)c2c1.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-4-23-16-9-10-18-17(12-16)19(11-13(2)20-18)21-14-5-7-15(22-3)8-6-14;/h5-12H,4H2,1-3H3,(H,20,21);1H
InChIKeyGBCDQQMTSOAPML-UHFFFAOYSA-N
MW344.84 g/mol
LogP5.12
Rot. Bonds5

About 6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride

6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride (PubChem CID 2790764) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
PubChem CID2790764
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(OC)cc3)c2c1.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-4-23-16-9-10-18-17(12-16)19(11-13(2)20-18)21-14-5-7-15(22-3)8-6-14;/h5-12H,4H2,1-3H3,(H,20,21);1H
InChIKeyGBCDQQMTSOAPML-UHFFFAOYSA-N
XLogP5.12
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.84
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
The IUPAC name of 6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride (CID 2790764) is 6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride.
What is the SMILES notation for 6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
The canonical SMILES for 6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride is CCOc1ccc2nc(C)cc(Nc3ccc(OC)cc3)c2c1.Cl.
What is the InChIKey of 6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
The InChIKey is GBCDQQMTSOAPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.ClH/c1-4-23-16-9-10-18-17(12-16)19(11-13(2)20-18)21-14-5-7-15(22-3)8-6-14;/h5-12H,4H2,1-3H3,(H,20,21);1H.
What are the key properties of 6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 2790764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).