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

C20H20ClN3O — CID 43813583

IUPACN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2nc1Cl
InChIInChI=1S/C20H20ClN3O/c1-13-6-7-17-9-18(20(21)23-19(17)14(13)2)12-24(15(3)25)11-16-5-4-8-22-10-16/h4-10H,11-12H2,1-3H3
InChIKeyHPOUMJWRMGDYSA-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.45
Rot. Bonds4

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

N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 43813583) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID43813583
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2nc1Cl
InChIInChI=1S/C20H20ClN3O/c1-13-6-7-17-9-18(20(21)23-19(17)14(13)2)12-24(15(3)25)11-16-5-4-8-22-10-16/h4-10H,11-12H2,1-3H3
InChIKeyHPOUMJWRMGDYSA-UHFFFAOYSA-N
XLogP4.45
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.45
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)benzamide
CID 43813584
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
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 3216942
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
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 3378097
N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 1457686
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113055305
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 43813641

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide (CID 43813583) is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide is CC(=O)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2nc1Cl.
What is the InChIKey of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HPOUMJWRMGDYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-13-6-7-17-9-18(20(21)23-19(17)14(13)2)12-24(15(3)25)11-16-5-4-8-22-10-16/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide?
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 353.85 g/mol, XLogP of 4.45, 4 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)acetamide is sourced from PubChem (CID 43813583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).