1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C19H21FN2O — CID 87080319

IUPAC1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(F)cc2C(Nc2ccc(C)cc2)CC1C
InChIInChI=1S/C19H21FN2O/c1-12-4-7-16(8-5-12)21-18-10-13(2)22(14(3)23)19-9-6-15(20)11-17(18)19/h4-9,11,13,18,21H,10H2,1-3H3
InChIKeyINCLVSNMDIGUHK-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.43
Rot. Bonds2

About 1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 87080319) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID87080319
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(F)cc2C(Nc2ccc(C)cc2)CC1C
InChIInChI=1S/C19H21FN2O/c1-12-4-7-16(8-5-12)21-18-10-13(2)22(14(3)23)19-9-6-15(20)11-17(18)19/h4-9,11,13,18,21H,10H2,1-3H3
InChIKeyINCLVSNMDIGUHK-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118870774
1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]ethanone
CID 90364431
4-[[1-acetyl-2-methyl-6-(4-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzonitrile;ethane
CID 176970174
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 118870735
4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide
CID 66625549
[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 3785325
[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone
CID 2874698
4-[1-acetyl-2-methyl-4-[4-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 67205954
[(2R,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
CID 171984662
1-[(2S,4R)-4-anilino-2-methyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118719858
(2S,4R)-1-acetyl-4-[4-(2-amino-2-oxoethyl)anilino]-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 66625459
N-[3-[(2S,4R)-1-acetyl-4-[4-(hydroxyamino)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
CID 135141487

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 87080319) is 1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(F)cc2C(Nc2ccc(C)cc2)CC1C.
What is the InChIKey of 1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is INCLVSNMDIGUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-12-4-7-16(8-5-12)21-18-10-13(2)22(14(3)23)19-9-6-15(20)11-17(18)19/h4-9,11,13,18,21H,10H2,1-3H3.
What are the key properties of 1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 312.39 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 87080319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).