8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline

C51H57FN4 — CID 138572935

IUPAC8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline
SMILESCc1ccc2c(C3CCNCC3)c(-c3ccc4c(C5CCCCC5C5CNCCC5c5ccc(F)c6ncccc56)ccc(C5CCNCC5)c4c3)ccc2c1
InChIInChI=1S/C51H57FN4/c1-32-8-11-38-35(29-32)9-12-39(50(38)34-20-26-54-27-21-34)36-10-13-44-42(15-14-37(47(44)30-36)33-18-24-53-25-19-33)40-5-2-3-6-41(40)48-31-55-28-22-45(48)43-16-17-49(52)51-46(43)7-4-23-56-51/h4,7-17,23,29-30,33-34,40-41,45,48,53-55H,2-3,5-6,18-22,24-28,31H2,1H3
InChIKeyGQGHAHAZELKWGT-UHFFFAOYSA-N
MW745.04 g/mol
LogP11.26
Rot. Bonds6

About 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline

8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline (PubChem CID 138572935) has the molecular formula C51H57FN4 and a molecular weight of 745.04 g/mol. Its IUPAC name is 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline.

Molecular Properties

Compound Name8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline
PubChem CID138572935
Molecular FormulaC51H57FN4
Molecular Weight745.04 g/mol
Exact Mass744.46
IUPAC Name8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline
SMILESCc1ccc2c(C3CCNCC3)c(-c3ccc4c(C5CCCCC5C5CNCCC5c5ccc(F)c6ncccc56)ccc(C5CCNCC5)c4c3)ccc2c1
InChIInChI=1S/C51H57FN4/c1-32-8-11-38-35(29-32)9-12-39(50(38)34-20-26-54-27-21-34)36-10-13-44-42(15-14-37(47(44)30-36)33-18-24-53-25-19-33)40-5-2-3-6-41(40)48-31-55-28-22-45(48)43-16-17-49(52)51-46(43)7-4-23-56-51/h4,7-17,23,29-30,33-34,40-41,45,48,53-55H,2-3,5-6,18-22,24-28,31H2,1H3
InChIKeyGQGHAHAZELKWGT-UHFFFAOYSA-N
XLogP11.26
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.04
LogP ≤ 511.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline with MolForge

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Related Compounds

5-cyclohexyl-8-fluoroquinoline
CID 175210873
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline
CID 145180186
8-pyrrolidin-3-ylquinoline;hydrochloride
CID 169498293
N,5-dimethyl-2-piperidin-4-ylaniline;ethane
CID 166120568
(4aS,10bR)-8-methyl-1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline
CID 12850461
8-(3-chloro-4-fluorophenyl)-6-methylquinoline
CID 15295268
4-(4-ethylcyclohexyl)-8-fluoroquinoline
CID 155416400
3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012
4-(4-pyren-1-ylphenyl)piperidine
CID 146643181
1-[2-cyclobutyl-3-(7-phenanthren-2-ylphenanthren-2-yl)phenyl]-10-methylphenanthrene
CID 144659746
4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine
CID 11381601

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline?
The IUPAC name of 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline (CID 138572935) is 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline.
What is the SMILES notation for 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline?
The canonical SMILES for 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline is Cc1ccc2c(C3CCNCC3)c(-c3ccc4c(C5CCCCC5C5CNCCC5c5ccc(F)c6ncccc56)ccc(C5CCNCC5)c4c3)ccc2c1.
What is the InChIKey of 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline?
The InChIKey is GQGHAHAZELKWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H57FN4/c1-32-8-11-38-35(29-32)9-12-39(50(38)34-20-26-54-27-21-34)36-10-13-44-42(15-14-37(47(44)30-36)33-18-24-53-25-19-33)40-5-2-3-6-41(40)48-31-55-28-22-45(48)43-16-17-49(52)51-46(43)7-4-23-56-51/h4,7-17,23,29-30,33-34,40-41,45,48,53-55H,2-3,5-6,18-22,24-28,31H2,1H3.
What are the key properties of 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline?
8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline has a molecular weight of 745.04 g/mol, XLogP of 11.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[3-[2-[6-(6-methyl-1-piperidin-4-ylnaphthalen-2-yl)-4-piperidin-4-ylnaphthalen-1-yl]cyclohexyl]piperidin-4-yl]quinoline is sourced from PubChem (CID 138572935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).