N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine

C19H19ClN2O — CID 948543

IUPACN-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(C)c(Cl)c3)c2c1
InChIInChI=1S/C19H19ClN2O/c1-4-23-15-7-8-18-16(11-15)19(9-13(3)21-18)22-14-6-5-12(2)17(20)10-14/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyIEQLLFUQVJQXSL-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.65
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine

N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine (PubChem CID 948543) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
PubChem CID948543
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(C)c(Cl)c3)c2c1
InChIInChI=1S/C19H19ClN2O/c1-4-23-15-7-8-18-16(11-15)19(9-13(3)21-18)22-14-6-5-12(2)17(20)10-14/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyIEQLLFUQVJQXSL-UHFFFAOYSA-N
XLogP5.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
N-(3-chloro-4-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798244
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
CID 169487793
N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 110435673
6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride
CID 171336416
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
CID 730833
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 169487817
6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
CID 169487796

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine (CID 948543) is N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine is CCOc1ccc2nc(C)cc(Nc3ccc(C)c(Cl)c3)c2c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine?
The InChIKey is IEQLLFUQVJQXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-4-23-15-7-8-18-16(11-15)19(9-13(3)21-18)22-14-6-5-12(2)17(20)10-14/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine?
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine has a molecular weight of 326.83 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 948543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).