N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide

C24H19Cl2N3O — CID 59474775

IUPACN-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide
SMILESCc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(NC(=O)c3ccccc3)c2n1
InChIInChI=1S/C24H19Cl2N3O/c1-15-12-22(27-14-16-10-11-19(25)20(26)13-16)18-8-5-9-21(23(18)28-15)29-24(30)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,27,28)(H,29,30)
InChIKeyXWSPWUHJDGOGIZ-UHFFFAOYSA-N
MW436.34 g/mol
LogP6.71
Rot. Bonds5

About N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide

N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide (PubChem CID 59474775) has the molecular formula C24H19Cl2N3O and a molecular weight of 436.34 g/mol. Its IUPAC name is N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide
PubChem CID59474775
Molecular FormulaC24H19Cl2N3O
Molecular Weight436.34 g/mol
Exact Mass435.09
IUPAC NameN-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide
SMILESCc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(NC(=O)c3ccccc3)c2n1
InChIInChI=1S/C24H19Cl2N3O/c1-15-12-22(27-14-16-10-11-19(25)20(26)13-16)18-8-5-9-21(23(18)28-15)29-24(30)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,27,28)(H,29,30)
InChIKeyXWSPWUHJDGOGIZ-UHFFFAOYSA-N
XLogP6.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine
CID 70849512
N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine
CID 25217464
N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine
CID 106816010
4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide
CID 43860369
2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide
CID 122185951
4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide
CID 122185963
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide
CID 110006557
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740076
N-(3-methylquinoxalin-5-yl)benzamide
CID 141198352
N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide
CID 68854486
4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide
CID 59121264

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide?
The IUPAC name of N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide (CID 59474775) is N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide.
What is the SMILES notation for N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide?
The canonical SMILES for N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide is Cc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(NC(=O)c3ccccc3)c2n1.
What is the InChIKey of N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide?
The InChIKey is XWSPWUHJDGOGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O/c1-15-12-22(27-14-16-10-11-19(25)20(26)13-16)18-8-5-9-21(23(18)28-15)29-24(30)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,27,28)(H,29,30).
What are the key properties of N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide?
N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide has a molecular weight of 436.34 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide is sourced from PubChem (CID 59474775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).