2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C26H27N3O2 — CID 68918580

IUPAC2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC1CC(C(C)C(=O)Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1
InChIInChI=1S/C26H27N3O2/c1-3-21-16-23(18(2)25(30)28-20-11-5-4-6-12-20)22-13-7-8-14-24(22)29(21)26(31)19-10-9-15-27-17-19/h4-15,17-18,21,23H,3,16H2,1-2H3,(H,28,30)
InChIKeyBLXNIMGMDWXGDJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.27
Rot. Bonds5

About 2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 68918580) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
PubChem CID68918580
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC1CC(C(C)C(=O)Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1
InChIInChI=1S/C26H27N3O2/c1-3-21-16-23(18(2)25(30)28-20-11-5-4-6-12-20)22-13-7-8-14-24(22)29(21)26(31)19-10-9-15-27-17-19/h4-15,17-18,21,23H,3,16H2,1-2H3,(H,28,30)
InChIKeyBLXNIMGMDWXGDJ-UHFFFAOYSA-N
XLogP5.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 9413930
2-cyclopropyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110623614
[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone
CID 136582250
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
[(2R,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
CID 171984662
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
2-(methylamino)-4-oxo-2-[4-(pyridine-3-carbonyl)-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]butanoic acid
CID 90116619
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone
CID 122270369

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of 2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 68918580) is 2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is CCC1CC(C(C)C(=O)Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1.
What is the InChIKey of 2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The InChIKey is BLXNIMGMDWXGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-3-21-16-23(18(2)25(30)28-20-11-5-4-6-12-20)22-13-7-8-14-24(22)29(21)26(31)19-10-9-15-27-17-19/h4-15,17-18,21,23H,3,16H2,1-2H3,(H,28,30).
What are the key properties of 2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 413.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 68918580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).