N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine

C18H16Cl2N2O — CID 169487789

IUPACN-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3cccc(Cl)c3Cl)c2c1
InChIInChI=1S/C18H16Cl2N2O/c1-3-23-12-7-8-15-13(10-12)17(9-11(2)21-15)22-16-6-4-5-14(19)18(16)20/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyYSPMQDWHSWXVML-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.99
Rot. Bonds4

About N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine

N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine (PubChem CID 169487789) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
PubChem CID169487789
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC NameN-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3cccc(Cl)c3Cl)c2c1
InChIInChI=1S/C18H16Cl2N2O/c1-3-23-12-7-8-15-13(10-12)17(9-11(2)21-15)22-16-6-4-5-14(19)18(16)20/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyYSPMQDWHSWXVML-UHFFFAOYSA-N
XLogP5.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
CID 169487796
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
CID 169487758
methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
CID 53002401
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
CID 169487705
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
CID 169487793
N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 169487709
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate
CID 25022707

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine (CID 169487789) is N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine is CCOc1ccc2nc(C)cc(Nc3cccc(Cl)c3Cl)c2c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine?
The InChIKey is YSPMQDWHSWXVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-3-23-12-7-8-15-13(10-12)17(9-11(2)21-15)22-16-6-4-5-14(19)18(16)20/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine?
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine has a molecular weight of 347.25 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 169487789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).