N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride

C24H23Cl3N4O — CID 160523492

IUPACN-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3CNc3ccc(Cl)cc3)ccc2n1.Cl.Cl
InChIInChI=1S/C24H21ClN4O.2ClH/c1-15-12-22(26)21-13-19(10-11-23(21)28-15)29-24(30)20-5-3-2-4-16(20)14-27-18-8-6-17(25)7-9-18;;/h2-13,27H,14H2,1H3,(H2,26,28)(H,29,30);2*1H
InChIKeyMLZDDPVQCCFENM-UHFFFAOYSA-N
MW489.83 g/mol
LogP6.49
Rot. Bonds5

About N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride

N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride (PubChem CID 160523492) has the molecular formula C24H23Cl3N4O and a molecular weight of 489.83 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride
PubChem CID160523492
Molecular FormulaC24H23Cl3N4O
Molecular Weight489.83 g/mol
Exact Mass488.09
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3CNc3ccc(Cl)cc3)ccc2n1.Cl.Cl
InChIInChI=1S/C24H21ClN4O.2ClH/c1-15-12-22(26)21-13-19(10-11-23(21)28-15)29-24(30)20-5-3-2-4-16(20)14-27-18-8-6-17(25)7-9-18;;/h2-13,27H,14H2,1H3,(H2,26,28)(H,29,30);2*1H
InChIKeyMLZDDPVQCCFENM-UHFFFAOYSA-N
XLogP6.49
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.83
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride
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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-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
CID 22397054
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-methoxyphenoxy)methyl]benzamide
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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
[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methyl acetate;hydrochloride
CID 22397041
N-(4-amino-2-ethylquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
CID 10765154
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide
CID 22083452
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-[(4-chloroanilino)methyl]benzamide;dihydrochloride?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride (CID 160523492) is N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride is Cc1cc(N)c2cc(NC(=O)c3ccccc3CNc3ccc(Cl)cc3)ccc2n1.Cl.Cl.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride?
The InChIKey is MLZDDPVQCCFENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O.2ClH/c1-15-12-22(26)21-13-19(10-11-23(21)28-15)29-24(30)20-5-3-2-4-16(20)14-27-18-8-6-17(25)7-9-18;;/h2-13,27H,14H2,1H3,(H2,26,28)(H,29,30);2*1H.
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride?
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride has a molecular weight of 489.83 g/mol, XLogP of 6.49, 5 rotatable bonds, 3 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-[(4-chloroanilino)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 160523492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).