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

C26H25Cl2N3O2 — CID 22397054

IUPACN-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
SMILESCCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)c(Cl)c1.Cl
InChIInChI=1S/C26H24ClN3O2.ClH/c1-3-17-8-11-25(22(27)13-17)32-15-18-6-4-5-7-20(18)26(31)30-19-9-10-24-21(14-19)23(28)12-16(2)29-24;/h4-14H,3,15H2,1-2H3,(H2,28,29)(H,30,31);1H
InChIKeyBPVBPMXGHIZCSJ-UHFFFAOYSA-N
MW482.41 g/mol
LogP6.59
Rot. Bonds6

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

N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride (PubChem CID 22397054) has the molecular formula C26H25Cl2N3O2 and a molecular weight of 482.41 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
PubChem CID22397054
Molecular FormulaC26H25Cl2N3O2
Molecular Weight482.41 g/mol
Exact Mass481.13
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
SMILESCCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)c(Cl)c1.Cl
InChIInChI=1S/C26H24ClN3O2.ClH/c1-3-17-8-11-25(22(27)13-17)32-15-18-6-4-5-7-20(18)26(31)30-19-9-10-24-21(14-19)23(28)12-16(2)29-24;/h4-14H,3,15H2,1-2H3,(H2,28,29)(H,30,31);1H
InChIKeyBPVBPMXGHIZCSJ-UHFFFAOYSA-N
XLogP6.59
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride
CID 159636156
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-benzylbenzamide
CID 10546941
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(trifluoromethyl)phenoxy]methyl]benzamide;hydrochloride
CID 22397059
N-(4-amino-2-ethylquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
CID 10765154
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride
CID 160523492
N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride
CID 162308221
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
CID 22083457

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride (CID 22397054) is N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride is CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)c(Cl)c1.Cl.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride?
The InChIKey is BPVBPMXGHIZCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2.ClH/c1-3-17-8-11-25(22(27)13-17)32-15-18-6-4-5-7-20(18)26(31)30-19-9-10-24-21(14-19)23(28)12-16(2)29-24;/h4-14H,3,15H2,1-2H3,(H2,28,29)(H,30,31);1H.
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride?
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride has a molecular weight of 482.41 g/mol, XLogP of 6.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride is sourced from PubChem (CID 22397054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).