(2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide

C17H20N4O2 — CID 94669996

IUPAC(2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide
SMILESC[C@@H](C(=O)NCC(=O)N1CCCc2ccccc21)n1ccnc1
InChIInChI=1S/C17H20N4O2/c1-13(20-10-8-18-12-20)17(23)19-11-16(22)21-9-4-6-14-5-2-3-7-15(14)21/h2-3,5,7-8,10,12-13H,4,6,9,11H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyLNPQLENSXPOOJW-ZDUSSCGKSA-N
MW312.37 g/mol
LogP1.54
Rot. Bonds4

About (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide

(2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide (PubChem CID 94669996) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide
PubChem CID94669996
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide
SMILESC[C@@H](C(=O)NCC(=O)N1CCCc2ccccc21)n1ccnc1
InChIInChI=1S/C17H20N4O2/c1-13(20-10-8-18-12-20)17(23)19-11-16(22)21-9-4-6-14-5-2-3-7-15(14)21/h2-3,5,7-8,10,12-13H,4,6,9,11H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyLNPQLENSXPOOJW-ZDUSSCGKSA-N
XLogP1.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
(2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide
CID 94670013
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166192642
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
CID 99217097
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide
CID 110406291
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide
CID 71843340
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide (CID 94669996) is (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide is C[C@@H](C(=O)NCC(=O)N1CCCc2ccccc21)n1ccnc1.
What is the InChIKey of (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide?
The InChIKey is LNPQLENSXPOOJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13(20-10-8-18-12-20)17(23)19-11-16(22)21-9-4-6-14-5-2-3-7-15(14)21/h2-3,5,7-8,10,12-13H,4,6,9,11H2,1H3,(H,19,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide?
(2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide has a molecular weight of 312.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 94669996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).