2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide

C22H20F2N2O2 — CID 31361414

IUPAC2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C22H20F2N2O2/c1-26(13-14-6-10-16(11-7-14)28-22(23)24)21(27)18-12-20(15-8-9-15)25-19-5-3-2-4-17(18)19/h2-7,10-12,15,22H,8-9,13H2,1H3
InChIKeyBZQGOVXWVJDJND-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.99
Rot. Bonds6

About 2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide

2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide (PubChem CID 31361414) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
PubChem CID31361414
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C22H20F2N2O2/c1-26(13-14-6-10-16(11-7-14)28-22(23)24)21(27)18-12-20(15-8-9-15)25-19-5-3-2-4-17(18)19/h2-7,10-12,15,22H,8-9,13H2,1H3
InChIKeyBZQGOVXWVJDJND-UHFFFAOYSA-N
XLogP4.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide
CID 31363966
2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 31361151
2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 119062230
5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522952
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
N-benzyl-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27665854
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
2-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 9378561
6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide
CID 55875327
2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide
CID 9160023

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide (CID 31361414) is 2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide?
The InChIKey is BZQGOVXWVJDJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c1-26(13-14-6-10-16(11-7-14)28-22(23)24)21(27)18-12-20(15-8-9-15)25-19-5-3-2-4-17(18)19/h2-7,10-12,15,22H,8-9,13H2,1H3.
What are the key properties of 2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide?
2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 31361414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).