N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride

C29H33Cl2N3O2 — CID 159636156

IUPACN-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride
SMILESCC.CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(CC)cc(N)c3c2)c(Cl)c1.Cl
InChIInChI=1S/C27H26ClN3O2.C2H6.ClH/c1-3-17-9-12-26(23(28)13-17)33-16-18-7-5-6-8-21(18)27(32)31-20-10-11-25-22(14-20)24(29)15-19(4-2)30-25;1-2;/h5-15H,3-4,16H2,1-2H3,(H2,29,30)(H,31,32);1-2H3;1H
InChIKeyUPLKCHHUBXMGSI-UHFFFAOYSA-N
MW526.51 g/mol
LogP7.87
Rot. Bonds7

About N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride

N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride (PubChem CID 159636156) has the molecular formula C29H33Cl2N3O2 and a molecular weight of 526.51 g/mol. Its IUPAC name is N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride
PubChem CID159636156
Molecular FormulaC29H33Cl2N3O2
Molecular Weight526.51 g/mol
Exact Mass525.19
IUPAC NameN-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride
SMILESCC.CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(CC)cc(N)c3c2)c(Cl)c1.Cl
InChIInChI=1S/C27H26ClN3O2.C2H6.ClH/c1-3-17-9-12-26(23(28)13-17)33-16-18-7-5-6-8-21(18)27(32)31-20-10-11-25-22(14-20)24(29)15-19(4-2)30-25;1-2;/h5-15H,3-4,16H2,1-2H3,(H2,29,30)(H,31,32);1-2H3;1H
InChIKeyUPLKCHHUBXMGSI-UHFFFAOYSA-N
XLogP7.87
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.51
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
CID 22397054
N-(4-amino-2-ethylquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
CID 10765154
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-methoxyphenoxy)methyl]benzamide
CID 22083450
[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methyl acetate;hydrochloride
CID 22397041
4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]benzoic acid;hydrochloride
CID 69240476
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide
CID 22083452
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
CID 22397066
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(trifluoromethyl)phenoxy]methyl]benzamide;hydrochloride
CID 22397059
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
CID 22083457
N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
CID 10546941
N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
CID 11596721
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride?
The IUPAC name of N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride (CID 159636156) is N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride.
What is the SMILES notation for N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride?
The canonical SMILES for N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride is CC.CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(CC)cc(N)c3c2)c(Cl)c1.Cl.
What is the InChIKey of N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride?
The InChIKey is UPLKCHHUBXMGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2.C2H6.ClH/c1-3-17-9-12-26(23(28)13-17)33-16-18-7-5-6-8-21(18)27(32)31-20-10-11-25-22(14-20)24(29)15-19(4-2)30-25;1-2;/h5-15H,3-4,16H2,1-2H3,(H2,29,30)(H,31,32);1-2H3;1H.
What are the key properties of N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride?
N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride has a molecular weight of 526.51 g/mol, XLogP of 7.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride is sourced from PubChem (CID 159636156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).