N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide

C21H20F2N2O4 — CID 55754801

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cc(=O)n(C)c3ccccc23)ccc1OC(F)F
InChIInChI=1S/C21H20F2N2O4/c1-24(12-13-8-9-17(29-21(22)23)18(10-13)28-3)20(27)15-11-19(26)25(2)16-7-5-4-6-14(15)16/h4-11,21H,12H2,1-3H3
InChIKeyFGYZFDAHCQBGPB-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.42
Rot. Bonds6

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide (PubChem CID 55754801) has the molecular formula C21H20F2N2O4 and a molecular weight of 402.40 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
PubChem CID55754801
Molecular FormulaC21H20F2N2O4
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cc(=O)n(C)c3ccccc23)ccc1OC(F)F
InChIInChI=1S/C21H20F2N2O4/c1-24(12-13-8-9-17(29-21(22)23)18(10-13)28-3)20(27)15-11-19(26)25(2)16-7-5-4-6-14(15)16/h4-11,21H,12H2,1-3H3
InChIKeyFGYZFDAHCQBGPB-UHFFFAOYSA-N
XLogP3.42
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 55413062
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32755093
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
CID 55380693
3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide
CID 55911154
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18153483
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 43017176
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylindole-2-carboxamide
CID 55876041
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone
CID 2452418
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 84600803
1-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-3-methylbenzimidazole-2-thione
CID 27082496
4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55789518

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide (CID 55754801) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide is COc1cc(CN(C)C(=O)c2cc(=O)n(C)c3ccccc23)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
The InChIKey is FGYZFDAHCQBGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O4/c1-24(12-13-8-9-17(29-21(22)23)18(10-13)28-3)20(27)15-11-19(26)25(2)16-7-5-4-6-14(15)16/h4-11,21H,12H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55754801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).