methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate

C22H24N2O4 — CID 18143028

IUPACmethyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)CCC1Cc2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-28-21(26)14-19(15-7-3-2-4-8-15)23-20(25)12-11-17-13-16-9-5-6-10-18(16)24-22(17)27/h2-10,17,19H,11-14H2,1H3,(H,23,25)(H,24,27)
InChIKeyZYMVGUBLOYVVCD-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.00
Rot. Bonds7

About methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate

methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate (PubChem CID 18143028) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate
PubChem CID18143028
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)CCC1Cc2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-28-21(26)14-19(15-7-3-2-4-8-15)23-20(25)12-11-17-13-16-9-5-6-10-18(16)24-22(17)27/h2-10,17,19H,11-14H2,1H3,(H,23,25)(H,24,27)
InChIKeyZYMVGUBLOYVVCD-UHFFFAOYSA-N
XLogP3.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate (CID 18143028) is methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate is COC(=O)CC(NC(=O)CCC1Cc2ccccc2NC1=O)c1ccccc1.
What is the InChIKey of methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate?
The InChIKey is ZYMVGUBLOYVVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-28-21(26)14-19(15-7-3-2-4-8-15)23-20(25)12-11-17-13-16-9-5-6-10-18(16)24-22(17)27/h2-10,17,19H,11-14H2,1H3,(H,23,25)(H,24,27).
What are the key properties of methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate?
methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate has a molecular weight of 380.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate is sourced from PubChem (CID 18143028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).