1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C13H17N3O2 — CID 167920926

IUPAC1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCC1CC(C(N)=O)c2ccccc2N1CC(N)=O
InChIInChI=1S/C13H17N3O2/c1-8-6-10(13(15)18)9-4-2-3-5-11(9)16(8)7-12(14)17/h2-5,8,10H,6-7H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyLFFNMFBOYCRAHA-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.34
Rot. Bonds3

About 1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 167920926) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID167920926
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCC1CC(C(N)=O)c2ccccc2N1CC(N)=O
InChIInChI=1S/C13H17N3O2/c1-8-6-10(13(15)18)9-4-2-3-5-11(9)16(8)7-12(14)17/h2-5,8,10H,6-7H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyLFFNMFBOYCRAHA-UHFFFAOYSA-N
XLogP0.34
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95584191
(2S,4R)-2-methyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95576414
(2R,4S)-1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95151811
(2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95282789
(2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95146105
(2R,4R)-2-methyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100903784
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
(2S,4S)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95347335
(2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95576424
(2R,4R)-1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100901258
2-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)acetamide
CID 115318363
(2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95141474

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 167920926) is 1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is CC1CC(C(N)=O)c2ccccc2N1CC(N)=O.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is LFFNMFBOYCRAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-6-10(13(15)18)9-4-2-3-5-11(9)16(8)7-12(14)17/h2-5,8,10H,6-7H2,1H3,(H2,14,17)(H2,15,18).
What are the key properties of 1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 167920926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).