5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline

C28H30FN5O — CID 69011249

IUPAC5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
SMILESCOc1ccc2cccc(N3CCN(C4CCN(c5ccc(F)c6cccnc56)CC4)CC3)c2n1
InChIInChI=1S/C28H30FN5O/c1-35-26-10-7-20-4-2-6-24(27(20)31-26)34-18-16-32(17-19-34)21-11-14-33(15-12-21)25-9-8-23(29)22-5-3-13-30-28(22)25/h2-10,13,21H,11-12,14-19H2,1H3
InChIKeyGUFRUYJGCLTEDI-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.72
Rot. Bonds4

About 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline

5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline (PubChem CID 69011249) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
PubChem CID69011249
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC Name5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
SMILESCOc1ccc2cccc(N3CCN(C4CCN(c5ccc(F)c6cccnc56)CC4)CC3)c2n1
InChIInChI=1S/C28H30FN5O/c1-35-26-10-7-20-4-2-6-24(27(20)31-26)34-18-16-32(17-19-34)21-11-14-33(15-12-21)25-9-8-23(29)22-5-3-13-30-28(22)25/h2-10,13,21H,11-12,14-19H2,1H3
InChIKeyGUFRUYJGCLTEDI-UHFFFAOYSA-N
XLogP4.72
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline with MolForge

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Related Compounds

5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
5-Fluoro-4-methoxy-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-(trifluoromethyl)quinoline
CID 12004141
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
6-Bromo-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 12004226
5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-(trifluoromethyl)-quinoline
CID 12004255
3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}quinoline
CID 12004280
6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
CID 16091081
8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline
CID 57780008
3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 46238348

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
The IUPAC name of 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline (CID 69011249) is 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline is COc1ccc2cccc(N3CCN(C4CCN(c5ccc(F)c6cccnc56)CC4)CC3)c2n1.
What is the InChIKey of 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
The InChIKey is GUFRUYJGCLTEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-35-26-10-7-20-4-2-6-24(27(20)31-26)34-18-16-32(17-19-34)21-11-14-33(15-12-21)25-9-8-23(29)22-5-3-13-30-28(22)25/h2-10,13,21H,11-12,14-19H2,1H3.
What are the key properties of 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline has a molecular weight of 471.58 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 69011249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).