2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide

C19H16F2N2O — CID 169414079

IUPAC2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2c(C)cc(-c3cc(F)cc(F)c3)nc2c1
InChIInChI=1S/C19H16F2N2O/c1-11-5-17(13-8-14(20)10-15(21)9-13)23-18-6-12(3-4-16(11)18)7-19(24)22-2/h3-6,8-10H,7H2,1-2H3,(H,22,24)
InChIKeyVHLIKRZTINIPHA-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.78
Rot. Bonds3

About 2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide

2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide (PubChem CID 169414079) has the molecular formula C19H16F2N2O and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide
PubChem CID169414079
Molecular FormulaC19H16F2N2O
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2c(C)cc(-c3cc(F)cc(F)c3)nc2c1
InChIInChI=1S/C19H16F2N2O/c1-11-5-17(13-8-14(20)10-15(21)9-13)23-18-6-12(3-4-16(11)18)7-19(24)22-2/h3-6,8-10H,7H2,1-2H3,(H,22,24)
InChIKeyVHLIKRZTINIPHA-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-fluoro-6-methoxyphenyl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169414091
2-[2-(6-acetamidoquinolin-2-yl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169416962
3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide
CID 169415281
N-cyclopropyl-2-[2-(4-fluorophenyl)-4-methylquinolin-6-yl]acetamide
CID 170505736
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169411482
4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]benzoic acid
CID 171915292
2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide
CID 169419336
2-[2-(4-hydroxy-2,6-dimethylphenyl)-4-methylquinolin-7-yl]acetamide
CID 170505769
N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide
CID 170508487
N,N-dimethyl-2-[4-methyl-2-(6-oxo-1H-pyridin-3-yl)quinolin-7-yl]acetamide
CID 169421854
2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169414898
2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169420696

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide (CID 169414079) is 2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide is CNC(=O)Cc1ccc2c(C)cc(-c3cc(F)cc(F)c3)nc2c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide?
The InChIKey is VHLIKRZTINIPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O/c1-11-5-17(13-8-14(20)10-15(21)9-13)23-18-6-12(3-4-16(11)18)7-19(24)22-2/h3-6,8-10H,7H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide?
2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide has a molecular weight of 326.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide is sourced from PubChem (CID 169414079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).