3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid

C22H19NO4 — CID 1248929

IUPAC3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)O)c2ccccc2-c2nc3ccccc3cc21
InChIInChI=1S/C22H19NO4/c24-19(25)9-11-22(12-10-20(26)27)16-7-3-2-6-15(16)21-17(22)13-14-5-1-4-8-18(14)23-21/h1-8,13H,9-12H2,(H,24,25)(H,26,27)
InChIKeyRNGWITXLYBYESP-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.23
Rot. Bonds6

About 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid

3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid (PubChem CID 1248929) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid.

Molecular Properties

Compound Name3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid
PubChem CID1248929
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)O)c2ccccc2-c2nc3ccccc3cc21
InChIInChI=1S/C22H19NO4/c24-19(25)9-11-22(12-10-20(26)27)16-7-3-2-6-15(16)21-17(22)13-14-5-1-4-8-18(14)23-21/h1-8,13H,9-12H2,(H,24,25)(H,26,27)
InChIKeyRNGWITXLYBYESP-UHFFFAOYSA-N
XLogP4.23
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid 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

4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one
CID 163648213
phenyl 3-[(11S)-11-[[(11R)-11-(2-phenylethyl)indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]propanoate
CID 163839127
3-[11-(2-carboxyethyl)-8-fluoroindeno[1,2-b]quinoxalin-11-yl]propanoic acid
CID 170115255
phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate
CID 164705563
3-[9-(2-carboxyethyl)-2,7-dinaphthalen-1-ylfluoren-9-yl]propanoic acid
CID 155712883
3-[12-(2-carboxypropyl)-3-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl]-2-methylpropanoic acid
CID 167025775
phenyl 2-methyl-3-[(11S)-11-[[(11R)-11-(2-phenylpropyl)indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]propanoate
CID 163856205
phenyl 3-[11-(3-oxo-3-phenoxypropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate
CID 167025776
methyl 3-[2-chloro-11-[(2-chloro-11-propylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]propanoate
CID 164705475
ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate
CID 167026220
3-[9-(3-amino-3-oxopropyl)fluoren-9-yl]propanamide
CID 156840120
ethyl 3-[12-[[12-[[12-(3-ethoxy-3-oxopropyl)-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]methyl]-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]methyl]-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]propanoate
CID 167025875

Frequently Asked Questions

What is the IUPAC name of 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid?
The IUPAC name of 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid (CID 1248929) is 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid.
What is the SMILES notation for 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid?
The canonical SMILES for 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid is O=C(O)CCC1(CCC(=O)O)c2ccccc2-c2nc3ccccc3cc21.
What is the InChIKey of 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid?
The InChIKey is RNGWITXLYBYESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-19(25)9-11-22(12-10-20(26)27)16-7-3-2-6-15(16)21-17(22)13-14-5-1-4-8-18(14)23-21/h1-8,13H,9-12H2,(H,24,25)(H,26,27).
What are the key properties of 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid?
3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid has a molecular weight of 361.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid is sourced from PubChem (CID 1248929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).