4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid

C33H43N3O4 — CID 22471284

IUPAC4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid
SMILESCOc1ccc2ncc(CN3CCOCC3)c(CCCC3(C(=O)O)CCN(CCCc4ccccc4)CC3)c2c1
InChIInChI=1S/C33H43N3O4/c1-39-28-11-12-31-30(23-28)29(27(24-34-31)25-36-19-21-40-22-20-36)10-5-13-33(32(37)38)14-17-35(18-15-33)16-6-9-26-7-3-2-4-8-26/h2-4,7-8,11-12,23-24H,5-6,9-10,13-22,25H2,1H3,(H,37,38)
InChIKeyDUVGTAPLSZJMCL-UHFFFAOYSA-N
MW545.72 g/mol
LogP5.20
Rot. Bonds12

About 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid

4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid (PubChem CID 22471284) has the molecular formula C33H43N3O4 and a molecular weight of 545.72 g/mol. Its IUPAC name is 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid
PubChem CID22471284
Molecular FormulaC33H43N3O4
Molecular Weight545.72 g/mol
Exact Mass545.33
IUPAC Name4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid
SMILESCOc1ccc2ncc(CN3CCOCC3)c(CCCC3(C(=O)O)CCN(CCCc4ccccc4)CC3)c2c1
InChIInChI=1S/C33H43N3O4/c1-39-28-11-12-31-30(23-28)29(27(24-34-31)25-36-19-21-40-22-20-36)10-5-13-33(32(37)38)14-17-35(18-15-33)16-6-9-26-7-3-2-4-8-26/h2-4,7-8,11-12,23-24H,5-6,9-10,13-22,25H2,1H3,(H,37,38)
InChIKeyDUVGTAPLSZJMCL-UHFFFAOYSA-N
XLogP5.20
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.72
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid with MolForge

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Related Compounds

4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 22469031
1-[2-(3,5-difluorophenoxy)ethyl]-4-[3-[3-(fluoromethyl)-6-methoxyquinolin-4-yl]propyl]piperidine-4-carboxylic acid
CID 22470522
4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 22468951
1-[2-(3,5-difluoroanilino)ethyl]-4-[3-[3-(hydroxymethyl)-6-methoxyquinolin-4-yl]propyl]piperidine-4-carboxylic acid
CID 22471019
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[3-(2,3,5-trifluorophenyl)propyl]piperidine-4-carboxylic acid
CID 22469302
2-[4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(3,4,5-trifluorophenyl)propyl]piperidin-4-yl]acetic acid
CID 22470283
4-[3-[3-(aminomethyl)-6-methoxyquinolin-4-yl]propyl]-N-hydroxy-1-[3-(3,4,5-trifluorophenyl)propyl]piperidine-4-carboxamide
CID 22468757
4-[3-[3-(hydroxymethyl)-6-methoxyquinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxylic acid
CID 22469843
3-[4-(hydroxymethyl)-1-[3-(2,4,6-trifluorophenyl)propyl]piperidin-4-yl]-1-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propan-1-ol
CID 22469693
4-[3-[3-(hydroxymethyl)-6-methoxyquinolin-4-yl]propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidine-4-carboxylic acid
CID 22469644
4-[(3R)-3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-N-hydroxy-1-[3-(3,4,5-trifluorophenyl)propyl]piperidine-4-carboxamide
CID 20797218
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-(2-methoxyphenyl)sulfanylethyl]piperidine-4-carboxylic acid
CID 22470146

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid (CID 22471284) is 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid is COc1ccc2ncc(CN3CCOCC3)c(CCCC3(C(=O)O)CCN(CCCc4ccccc4)CC3)c2c1.
What is the InChIKey of 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
The InChIKey is DUVGTAPLSZJMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O4/c1-39-28-11-12-31-30(23-28)29(27(24-34-31)25-36-19-21-40-22-20-36)10-5-13-33(32(37)38)14-17-35(18-15-33)16-6-9-26-7-3-2-4-8-26/h2-4,7-8,11-12,23-24H,5-6,9-10,13-22,25H2,1H3,(H,37,38).
What are the key properties of 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid has a molecular weight of 545.72 g/mol, XLogP of 5.20, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22471284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).