6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline

C29H33N5O — CID 12004197

IUPAC6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
SMILESCOc1cc(N2CCN(C3CCN(c4cccc5ccc(C)nc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C29H33N5O/c1-21-8-9-22-5-3-7-26(29(22)31-21)33-13-10-24(11-14-33)32-15-17-34(18-16-32)27-20-25(35-2)19-23-6-4-12-30-28(23)27/h3-9,12,19-20,24H,10-11,13-18H2,1-2H3
InChIKeyAGKQMEJGGYUHPL-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.89
Rot. Bonds4

About 6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline

6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline (PubChem CID 12004197) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is 6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
PubChem CID12004197
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC Name6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
SMILESCOc1cc(N2CCN(C3CCN(c4cccc5ccc(C)nc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C29H33N5O/c1-21-8-9-22-5-3-7-26(29(22)31-21)33-13-10-24(11-14-33)32-15-17-34(18-16-32)27-20-25(35-2)19-23-6-4-12-30-28(23)27/h3-9,12,19-20,24H,10-11,13-18H2,1-2H3
InChIKeyAGKQMEJGGYUHPL-UHFFFAOYSA-N
XLogP4.89
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline?
The IUPAC name of 6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline (CID 12004197) is 6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline.
What is the SMILES notation for 6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline?
The canonical SMILES for 6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline is COc1cc(N2CCN(C3CCN(c4cccc5ccc(C)nc45)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline?
The InChIKey is AGKQMEJGGYUHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c1-21-8-9-22-5-3-7-26(29(22)31-21)33-13-10-24(11-14-33)32-15-17-34(18-16-32)27-20-25(35-2)19-23-6-4-12-30-28(23)27/h3-9,12,19-20,24H,10-11,13-18H2,1-2H3.
What are the key properties of 6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline?
6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline has a molecular weight of 467.62 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-[4-[1-(2-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline is sourced from PubChem (CID 12004197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).