[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate

C23H26N2O4 — CID 25482566

IUPAC[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C23H26N2O4/c1-15-8-6-10-19(14-15)21(26)24-16(2)23(28)29-17(3)22(27)25-13-7-11-18-9-4-5-12-20(18)25/h4-6,8-10,12,14,16-17H,7,11,13H2,1-3H3,(H,24,26)/t16-,17+/m1/s1
InChIKeyHMBMOJQIBPOAPO-SJORKVTESA-N
MW394.47 g/mol
LogP3.02
Rot. Bonds5

About [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate

[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate (PubChem CID 25482566) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate
PubChem CID25482566
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C23H26N2O4/c1-15-8-6-10-19(14-15)21(26)24-16(2)23(28)29-17(3)22(27)25-13-7-11-18-9-4-5-12-20(18)25/h4-6,8-10,12,14,16-17H,7,11,13H2,1-3H3,(H,24,26)/t16-,17+/m1/s1
InChIKeyHMBMOJQIBPOAPO-SJORKVTESA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 95056727
4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123
N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
CID 95091917
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 132650377
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 18157970
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 29246718
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-methylbenzamide
CID 53037121
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 42927970
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 30471955

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate (CID 25482566) is [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate is Cc1cccc(C(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is HMBMOJQIBPOAPO-SJORKVTESA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-8-6-10-19(14-15)21(26)24-16(2)23(28)29-17(3)22(27)25-13-7-11-18-9-4-5-12-20(18)25/h4-6,8-10,12,14,16-17H,7,11,13H2,1-3H3,(H,24,26)/t16-,17+/m1/s1.
What are the key properties of [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate?
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 394.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 25482566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).