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

C33H42FN3O4 — CID 22469031

IUPAC4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid
SMILESCOc1ccc2ncc(CN3CCOCC3)c(C(F)CCC3(C(=O)O)CCN(CCCc4ccccc4)CC3)c2c1
InChIInChI=1S/C33H42FN3O4/c1-40-27-9-10-30-28(22-27)31(26(23-35-30)24-37-18-20-41-21-19-37)29(34)11-12-33(32(38)39)13-16-36(17-14-33)15-5-8-25-6-3-2-4-7-25/h2-4,6-7,9-10,22-23,29H,5,8,11-21,24H2,1H3,(H,38,39)
InChIKeyORVWADRHWYZBBS-UHFFFAOYSA-N
MW563.71 g/mol
LogP5.67
Rot. Bonds12

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

4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid (PubChem CID 22469031) has the molecular formula C33H42FN3O4 and a molecular weight of 563.71 g/mol. Its IUPAC name is 4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid
PubChem CID22469031
Molecular FormulaC33H42FN3O4
Molecular Weight563.71 g/mol
Exact Mass563.32
IUPAC Name4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid
SMILESCOc1ccc2ncc(CN3CCOCC3)c(C(F)CCC3(C(=O)O)CCN(CCCc4ccccc4)CC3)c2c1
InChIInChI=1S/C33H42FN3O4/c1-40-27-9-10-30-28(22-27)31(26(23-35-30)24-37-18-20-41-21-19-37)29(34)11-12-33(32(38)39)13-16-36(17-14-33)15-5-8-25-6-3-2-4-7-25/h2-4,6-7,9-10,22-23,29H,5,8,11-21,24H2,1H3,(H,38,39)
InChIKeyORVWADRHWYZBBS-UHFFFAOYSA-N
XLogP5.67
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.71
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic 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-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 22471284
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-[(3R)-3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]piperidine-4-carboxylic acid
CID 20797178
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-[(3R)-3-fluoro-3-[3-(hydroxymethyl)-6-methoxyquinolin-4-yl]propyl]-1-[3-(3,4,5-trifluorophenyl)propyl]piperidine-4-carboxylic acid
CID 20797036
4-[(3R)-3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxylic acid
CID 20797198
2-[4-[3-fluoro-3-[3-(fluoromethyl)-6-methoxyquinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidin-4-yl]acetic acid
CID 22471620
4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-1-[3-(3,5-difluorophenyl)propyl]piperidine-4-carboxylic acid
CID 22469353
4-[3-fluoro-3-[3-(fluoromethyl)-6-methoxyquinolin-4-yl]propyl]-1-[3-(2,3,5-trifluorophenyl)propyl]piperidine-4-carboxylic acid
CID 22471308
4-[(3R)-3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-N-hydroxy-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 20796577
1-[2-(3,5-difluorophenoxy)ethyl]-4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-N-hydroxypiperidine-4-carboxamide
CID 22471048
4-[3-fluoro-3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[3-(3,4,5-trifluorophenyl)propyl]piperidine-4-carboxylic acid
CID 22470946

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid (CID 22469031) is 4-[3-fluoro-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-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid is COc1ccc2ncc(CN3CCOCC3)c(C(F)CCC3(C(=O)O)CCN(CCCc4ccccc4)CC3)c2c1.
What is the InChIKey of 4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
The InChIKey is ORVWADRHWYZBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42FN3O4/c1-40-27-9-10-30-28(22-27)31(26(23-35-30)24-37-18-20-41-21-19-37)29(34)11-12-33(32(38)39)13-16-36(17-14-33)15-5-8-25-6-3-2-4-7-25/h2-4,6-7,9-10,22-23,29H,5,8,11-21,24H2,1H3,(H,38,39).
What are the key properties of 4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid has a molecular weight of 563.71 g/mol, XLogP of 5.67, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22469031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).