N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

C25H22ClN3O — CID 43813584

IUPACN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3)c(Cl)nc2c1C
InChIInChI=1S/C25H22ClN3O/c1-17-10-11-21-13-22(24(26)28-23(21)18(17)2)16-29(15-19-7-6-12-27-14-19)25(30)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3
InChIKeyINSJMSCLSFATGH-UHFFFAOYSA-N
MW415.92 g/mol
LogP5.74
Rot. Bonds5

About N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 43813584) has the molecular formula C25H22ClN3O and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID43813584
Molecular FormulaC25H22ClN3O
Molecular Weight415.92 g/mol
Exact Mass415.15
IUPAC NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3)c(Cl)nc2c1C
InChIInChI=1S/C25H22ClN3O/c1-17-10-11-21-13-22(24(26)28-23(21)18(17)2)16-29(15-19-7-6-12-27-14-19)25(30)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3
InChIKeyINSJMSCLSFATGH-UHFFFAOYSA-N
XLogP5.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 43813583
1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 3216893
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 1383900
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 1459926
1-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 1459942
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 43813615
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 1453703
N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 168853807
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 3216942
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 1457686
1-benzyl-1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,3-dimethylurea
CID 23913689

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 43813584) is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3)c(Cl)nc2c1C.
What is the InChIKey of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is INSJMSCLSFATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O/c1-17-10-11-21-13-22(24(26)28-23(21)18(17)2)16-29(15-19-7-6-12-27-14-19)25(30)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3.
What are the key properties of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 415.92 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 43813584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).