N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide

C20H18F2N2O2 — CID 38797474

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3ccc(OC(F)F)cc3)c(C)nc2c1
InChIInChI=1S/C20H18F2N2O2/c1-12-3-6-15-10-17(13(2)24-18(15)9-12)19(25)23-11-14-4-7-16(8-5-14)26-20(21)22/h3-10,20H,11H2,1-2H3,(H,23,25)
InChIKeyBFXDEEXXPFOBJB-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.38
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide (PubChem CID 38797474) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
PubChem CID38797474
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3ccc(OC(F)F)cc3)c(C)nc2c1
InChIInChI=1S/C20H18F2N2O2/c1-12-3-6-15-10-17(13(2)24-18(15)9-12)19(25)23-11-14-4-7-16(8-5-14)26-20(21)22/h3-10,20H,11H2,1-2H3,(H,23,25)
InChIKeyBFXDEEXXPFOBJB-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520644
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18128266
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 60547561
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 33280716
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide
CID 42010369

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide (CID 38797474) is N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide is Cc1ccc2cc(C(=O)NCc3ccc(OC(F)F)cc3)c(C)nc2c1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
The InChIKey is BFXDEEXXPFOBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-12-3-6-15-10-17(13(2)24-18(15)9-12)19(25)23-11-14-4-7-16(8-5-14)26-20(21)22/h3-10,20H,11H2,1-2H3,(H,23,25).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 38797474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).