6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline

C29H33N5O — CID 12004199

IUPAC6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
SMILESCOc1cc(N2CCN(C3CCN(c4cccc5cc(C)cnc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C29H33N5O/c1-21-17-22-5-3-7-26(28(22)31-20-21)33-11-8-24(9-12-33)32-13-15-34(16-14-32)27-19-25(35-2)18-23-6-4-10-30-29(23)27/h3-7,10,17-20,24H,8-9,11-16H2,1-2H3
InChIKeyYYOFFKVGWHJPMJ-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.89
Rot. Bonds4

About 6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline

6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline (PubChem CID 12004199) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is 6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
PubChem CID12004199
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC Name6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
SMILESCOc1cc(N2CCN(C3CCN(c4cccc5cc(C)cnc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C29H33N5O/c1-21-17-22-5-3-7-26(28(22)31-20-21)33-11-8-24(9-12-33)32-13-15-34(16-14-32)27-19-25(35-2)18-23-6-4-10-30-29(23)27/h3-7,10,17-20,24H,8-9,11-16H2,1-2H3
InChIKeyYYOFFKVGWHJPMJ-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-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline?
The IUPAC name of 6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline (CID 12004199) is 6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline.
What is the SMILES notation for 6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline?
The canonical SMILES for 6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline is COc1cc(N2CCN(C3CCN(c4cccc5cc(C)cnc45)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline?
The InChIKey is YYOFFKVGWHJPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c1-21-17-22-5-3-7-26(28(22)31-20-21)33-11-8-24(9-12-33)32-13-15-34(16-14-32)27-19-25(35-2)18-23-6-4-10-30-29(23)27/h3-7,10,17-20,24H,8-9,11-16H2,1-2H3.
What are the key properties of 6-methoxy-8-[4-[1-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline?
6-methoxy-8-[4-[1-(3-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-(3-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline is sourced from PubChem (CID 12004199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).