N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide

C23H23ClN2O — CID 3215107

IUPACN-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide
SMILESCc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)C3CC3)cc2c1
InChIInChI=1S/C23H23ClN2O/c1-15-10-16(2)21-19(11-15)12-20(22(24)25-21)14-26(23(27)18-8-9-18)13-17-6-4-3-5-7-17/h3-7,10-12,18H,8-9,13-14H2,1-2H3
InChIKeyOKZODINCARHRDC-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.44
Rot. Bonds5

About N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide

N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide (PubChem CID 3215107) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide
PubChem CID3215107
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC NameN-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide
SMILESCc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)C3CC3)cc2c1
InChIInChI=1S/C23H23ClN2O/c1-15-10-16(2)21-19(11-15)12-20(22(24)25-21)14-26(23(27)18-8-9-18)13-17-6-4-3-5-7-17/h3-7,10-12,18H,8-9,13-14H2,1-2H3
InChIKeyOKZODINCARHRDC-UHFFFAOYSA-N
XLogP5.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 1457686
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 1459926
1-benzyl-1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,3-dimethylurea
CID 23913689
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylbenzamide
CID 3215123
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide
CID 3215121
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 3216942
1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)urea
CID 3216920
2-(2-chloro-6,8-dimethylquinolin-3-yl)acetic acid
CID 84633593
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide
CID 1459902
1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea
CID 1467828
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide
CID 3219509
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 1383900

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide (CID 3215107) is N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide is Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)C3CC3)cc2c1.
What is the InChIKey of N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide?
The InChIKey is OKZODINCARHRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-15-10-16(2)21-19(11-15)12-20(22(24)25-21)14-26(23(27)18-8-9-18)13-17-6-4-3-5-7-17/h3-7,10-12,18H,8-9,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide?
N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide has a molecular weight of 378.90 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 3215107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).