N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide

C22H20ClFN2O2 — CID 43813618

IUPACN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2c1
InChIInChI=1S/C22H20ClFN2O2/c1-28-19-8-9-20-16(11-19)10-17(21(23)25-20)13-26(22(27)15-4-5-15)12-14-2-6-18(24)7-3-14/h2-3,6-11,15H,4-5,12-13H2,1H3
InChIKeyAGCRPEXNROLYEB-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.97
Rot. Bonds6

About N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide

N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide (PubChem CID 43813618) has the molecular formula C22H20ClFN2O2 and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
PubChem CID43813618
Molecular FormulaC22H20ClFN2O2
Molecular Weight398.87 g/mol
Exact Mass398.12
IUPAC NameN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2c1
InChIInChI=1S/C22H20ClFN2O2/c1-28-19-8-9-20-16(11-19)10-17(21(23)25-20)13-26(22(27)15-4-5-15)12-14-2-6-18(24)7-3-14/h2-3,6-11,15H,4-5,12-13H2,1H3
InChIKeyAGCRPEXNROLYEB-UHFFFAOYSA-N
XLogP4.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.97
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-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1459958
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 3216958
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 1459994
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1459808
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 26349948
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-2-fluoro-N-[(3-methylphenyl)methyl]benzamide
CID 3229754
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
CID 1460017
N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1459113
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide
CID 3229697
2-chloro-3-(fluoromethyl)-6-methoxyquinoline
CID 163369933
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
CID 3216967

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide (CID 43813618) is N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide is COc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2c1.
What is the InChIKey of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide?
The InChIKey is AGCRPEXNROLYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O2/c1-28-19-8-9-20-16(11-19)10-17(21(23)25-20)13-26(22(27)15-4-5-15)12-14-2-6-18(24)7-3-14/h2-3,6-11,15H,4-5,12-13H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide?
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide has a molecular weight of 398.87 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 43813618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).