[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate

C22H21N3O4 — CID 7351543

IUPAC[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
SMILESCCNC(=O)NC(=O)[C@@H](OC(=O)c1cc(C)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-3-23-22(28)25-20(26)19(15-9-5-4-6-10-15)29-21(27)17-13-14(2)24-18-12-8-7-11-16(17)18/h4-13,19H,3H2,1-2H3,(H2,23,25,26,28)/t19-/m0/s1
InChIKeyZLJLNDNOCIRWHX-IBGZPJMESA-N
MW391.43 g/mol
LogP3.29
Rot. Bonds5

About [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate (PubChem CID 7351543) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
PubChem CID7351543
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
SMILESCCNC(=O)NC(=O)[C@@H](OC(=O)c1cc(C)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-3-23-22(28)25-20(26)19(15-9-5-4-6-10-15)29-21(27)17-13-14(2)24-18-12-8-7-11-16(17)18/h4-13,19H,3H2,1-2H3,(H2,23,25,26,28)/t19-/m0/s1
InChIKeyZLJLNDNOCIRWHX-IBGZPJMESA-N
XLogP3.29
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate 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

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 7785331
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 41136561
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878447
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethylbenzoate
CID 8647828
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 16508788
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 7765259
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-fluorobenzoate
CID 7864310
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839938
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 8526571
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 55367536
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
CID 8708894
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3,4-trimethoxybenzoate
CID 8611552

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate (CID 7351543) is [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate is CCNC(=O)NC(=O)[C@@H](OC(=O)c1cc(C)nc2ccccc12)c1ccccc1.
What is the InChIKey of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is ZLJLNDNOCIRWHX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-23-22(28)25-20(26)19(15-9-5-4-6-10-15)29-21(27)17-13-14(2)24-18-12-8-7-11-16(17)18/h4-13,19H,3H2,1-2H3,(H2,23,25,26,28)/t19-/m0/s1.
What are the key properties of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate?
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 391.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 7351543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).