4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide

C20H22FN3O2 — CID 66625549

IUPAC4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide
SMILESCC(=O)N1c2ccc(F)cc2C(Nc2ccc(C(N)=O)cc2C)CC1C
InChIInChI=1S/C20H22FN3O2/c1-11-8-14(20(22)26)4-6-17(11)23-18-9-12(2)24(13(3)25)19-7-5-15(21)10-16(18)19/h4-8,10,12,18,23H,9H2,1-3H3,(H2,22,26)
InChIKeyNROMYMRISVTHIZ-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.53
Rot. Bonds3

About 4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide

4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide (PubChem CID 66625549) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide
PubChem CID66625549
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide
SMILESCC(=O)N1c2ccc(F)cc2C(Nc2ccc(C(N)=O)cc2C)CC1C
InChIInChI=1S/C20H22FN3O2/c1-11-8-14(20(22)26)4-6-17(11)23-18-9-12(2)24(13(3)25)19-7-5-15(21)10-16(18)19/h4-8,10,12,18,23H,9H2,1-3H3,(H2,22,26)
InChIKeyNROMYMRISVTHIZ-UHFFFAOYSA-N
XLogP3.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-acetyl-2-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide
CID 46932548
1-[(2S,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118870774
1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 87080319
ethyl 4-[[1-acetyl-6-(methanesulfonamido)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methylbenzoate
CID 66624855
(2S,4R)-1-acetyl-4-[4-(2-amino-2-oxoethyl)anilino]-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 66625459
2-[4-[[(2R,4S)-1-acetyl-6-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetic acid
CID 66625594
1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25254949
1-[2-methyl-4-(2-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25253600
(2S,3R,4R)-1-acetyl-2-cyclopropyl-4-(2,4-difluoroanilino)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 118660454
1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 58032147
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 118870735
1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]ethanone
CID 90364431

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide?
The IUPAC name of 4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide (CID 66625549) is 4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide.
What is the SMILES notation for 4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide?
The canonical SMILES for 4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide is CC(=O)N1c2ccc(F)cc2C(Nc2ccc(C(N)=O)cc2C)CC1C.
What is the InChIKey of 4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide?
The InChIKey is NROMYMRISVTHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-11-8-14(20(22)26)4-6-17(11)23-18-9-12(2)24(13(3)25)19-7-5-15(21)10-16(18)19/h4-8,10,12,18,23H,9H2,1-3H3,(H2,22,26).
What are the key properties of 4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide?
4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide has a molecular weight of 355.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide is sourced from PubChem (CID 66625549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).