N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide

C22H21ClN2O — CID 1457686

IUPACN-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide
SMILESCc1cccc2cc(CN(Cc3ccccc3)C(=O)C3CC3)c(Cl)nc12
InChIInChI=1S/C22H21ClN2O/c1-15-6-5-9-18-12-19(21(23)24-20(15)18)14-25(22(26)17-10-11-17)13-16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeySTIFMECCFLVPOA-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.14
Rot. Bonds5

About N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide

N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide (PubChem CID 1457686) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide
PubChem CID1457686
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC NameN-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide
SMILESCc1cccc2cc(CN(Cc3ccccc3)C(=O)C3CC3)c(Cl)nc12
InChIInChI=1S/C22H21ClN2O/c1-15-6-5-9-18-12-19(21(23)24-20(15)18)14-25(22(26)17-10-11-17)13-16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeySTIFMECCFLVPOA-UHFFFAOYSA-N
XLogP5.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.14
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-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 3215107
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-benzyl-1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,3-dimethylurea
CID 23913689
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide
CID 1459732
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 3378097
2-chloro-3-ethyl-8-methylquinoline
CID 18523984
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 1457697
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43813584
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 43813641
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 43813618

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide (CID 1457686) is N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide is Cc1cccc2cc(CN(Cc3ccccc3)C(=O)C3CC3)c(Cl)nc12.
What is the InChIKey of N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide?
The InChIKey is STIFMECCFLVPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-15-6-5-9-18-12-19(21(23)24-20(15)18)14-25(22(26)17-10-11-17)13-16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3.
What are the key properties of N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide?
N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide has a molecular weight of 364.88 g/mol, XLogP of 5.14, 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-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 1457686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).