2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid

C24H27NO5 — CID 70528351

IUPAC2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
SMILESCCc1ccccc1C(CCC(=O)N1c2ccccc2CCC1C(=O)OC)C(=O)O
InChIInChI=1S/C24H27NO5/c1-3-16-8-4-6-10-18(16)19(23(27)28)13-15-22(26)25-20-11-7-5-9-17(20)12-14-21(25)24(29)30-2/h4-11,19,21H,3,12-15H2,1-2H3,(H,27,28)
InChIKeyNZUMFLUUTYOCMU-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.72
Rot. Bonds7

About 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid

2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid (PubChem CID 70528351) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
PubChem CID70528351
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
SMILESCCc1ccccc1C(CCC(=O)N1c2ccccc2CCC1C(=O)OC)C(=O)O
InChIInChI=1S/C24H27NO5/c1-3-16-8-4-6-10-18(16)19(23(27)28)13-15-22(26)25-20-11-7-5-9-17(20)12-14-21(25)24(29)30-2/h4-11,19,21H,3,12-15H2,1-2H3,(H,27,28)
InChIKeyNZUMFLUUTYOCMU-UHFFFAOYSA-N
XLogP3.72
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid 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 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid (CID 70528351) is 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid is CCc1ccccc1C(CCC(=O)N1c2ccccc2CCC1C(=O)OC)C(=O)O.
What is the InChIKey of 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
The InChIKey is NZUMFLUUTYOCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-3-16-8-4-6-10-18(16)19(23(27)28)13-15-22(26)25-20-11-7-5-9-17(20)12-14-21(25)24(29)30-2/h4-11,19,21H,3,12-15H2,1-2H3,(H,27,28).
What are the key properties of 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid has a molecular weight of 409.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 70528351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).