3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline

C27H32ClFN2O — CID 141053505

IUPAC3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline
SMILESCCC(c1cccc(F)c1)N1CCCCC1CCCc1c(Cl)cnc2ccc(OC)cc12
InChIInChI=1S/C27H32ClFN2O/c1-3-27(19-8-6-9-20(29)16-19)31-15-5-4-10-21(31)11-7-12-23-24-17-22(32-2)13-14-26(24)30-18-25(23)28/h6,8-9,13-14,16-18,21,27H,3-5,7,10-12,15H2,1-2H3
InChIKeyOETNLSAFOOTWOG-UHFFFAOYSA-N
MW455.02 g/mol
LogP7.36
Rot. Bonds8

About 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline

3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline (PubChem CID 141053505) has the molecular formula C27H32ClFN2O and a molecular weight of 455.02 g/mol. Its IUPAC name is 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline.

Molecular Properties

Compound Name3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline
PubChem CID141053505
Molecular FormulaC27H32ClFN2O
Molecular Weight455.02 g/mol
Exact Mass454.22
IUPAC Name3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline
SMILESCCC(c1cccc(F)c1)N1CCCCC1CCCc1c(Cl)cnc2ccc(OC)cc12
InChIInChI=1S/C27H32ClFN2O/c1-3-27(19-8-6-9-20(29)16-19)31-15-5-4-10-21(31)11-7-12-23-24-17-22(32-2)13-14-26(24)30-18-25(23)28/h6,8-9,13-14,16-18,21,27H,3-5,7,10-12,15H2,1-2H3
InChIKeyOETNLSAFOOTWOG-UHFFFAOYSA-N
XLogP7.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.02
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline with MolForge

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Related Compounds

3-chloro-4-[3-[1-[1-(2-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline
CID 141053481
1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine
CID 114872104
3-chloro-6-methoxy-4-[3-[1-(2-pyridin-2-ylsulfanylethyl)piperidin-4-yl]propyl]quinoline
CID 151638577
4-[3-[1-(2-cyclohexylethyl)piperidin-2-yl]propyl]-6-methoxy-3-methylquinoline
CID 141053509
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-[(4-fluoro-2-pyridinyl)sulfanyl]ethyl]piperidine-3-carboxylic acid
CID 22597973
2-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-(3,5-difluorophenyl)sulfanylethyl]piperidin-3-yl]acetic acid
CID 22597892
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-(5-fluorothiophen-2-yl)sulfanylethyl]piperidine-3-carboxylic acid
CID 22597911
2-[1-[2-amino-1-(3-fluorophenyl)ethyl]piperidin-2-yl]ethanol
CID 55020773
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-(2,6-difluorophenyl)sulfanylethyl]piperidine-4-carboxylic acid
CID 22469102
4-[3-[1-[2-(2,6-difluorophenoxy)ethyl]piperidin-4-yl]propyl]-3-fluoro-6-methoxyquinoline
CID 151479171
2-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 22470936
2-[4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-[2-(3-fluorophenyl)sulfanylethyl]piperidin-3-yl]acetic acid
CID 22643929

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline?
The IUPAC name of 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline (CID 141053505) is 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline.
What is the SMILES notation for 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline?
The canonical SMILES for 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline is CCC(c1cccc(F)c1)N1CCCCC1CCCc1c(Cl)cnc2ccc(OC)cc12.
What is the InChIKey of 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline?
The InChIKey is OETNLSAFOOTWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClFN2O/c1-3-27(19-8-6-9-20(29)16-19)31-15-5-4-10-21(31)11-7-12-23-24-17-22(32-2)13-14-26(24)30-18-25(23)28/h6,8-9,13-14,16-18,21,27H,3-5,7,10-12,15H2,1-2H3.
What are the key properties of 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline?
3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline has a molecular weight of 455.02 g/mol, XLogP of 7.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline is sourced from PubChem (CID 141053505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).