8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline

C30H35N5O — CID 12004201

IUPAC8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline
SMILESCOc1cc(N2CCN(C3CCN(c4cccc5c(C)cc(C)nc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C30H35N5O/c1-21-18-22(2)32-30-26(21)7-4-8-27(30)34-12-9-24(10-13-34)33-14-16-35(17-15-33)28-20-25(36-3)19-23-6-5-11-31-29(23)28/h4-8,11,18-20,24H,9-10,12-17H2,1-3H3
InChIKeyVCZUIKWAOYYMFS-UHFFFAOYSA-N
MW481.64 g/mol
LogP5.20
Rot. Bonds4

About 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline

8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline (PubChem CID 12004201) has the molecular formula C30H35N5O and a molecular weight of 481.64 g/mol. Its IUPAC name is 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline.

Molecular Properties

Compound Name8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline
PubChem CID12004201
Molecular FormulaC30H35N5O
Molecular Weight481.64 g/mol
Exact Mass481.28
IUPAC Name8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline
SMILESCOc1cc(N2CCN(C3CCN(c4cccc5c(C)cc(C)nc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C30H35N5O/c1-21-18-22(2)32-30-26(21)7-4-8-27(30)34-12-9-24(10-13-34)33-14-16-35(17-15-33)28-20-25(36-3)19-23-6-5-11-31-29(23)28/h4-8,11,18-20,24H,9-10,12-17H2,1-3H3
InChIKeyVCZUIKWAOYYMFS-UHFFFAOYSA-N
XLogP5.20
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline?
The IUPAC name of 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline (CID 12004201) is 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline.
What is the SMILES notation for 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline?
The canonical SMILES for 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline is COc1cc(N2CCN(C3CCN(c4cccc5c(C)cc(C)nc45)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline?
The InChIKey is VCZUIKWAOYYMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O/c1-21-18-22(2)32-30-26(21)7-4-8-27(30)34-12-9-24(10-13-34)33-14-16-35(17-15-33)28-20-25(36-3)19-23-6-5-11-31-29(23)28/h4-8,11,18-20,24H,9-10,12-17H2,1-3H3.
What are the key properties of 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline?
8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline has a molecular weight of 481.64 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2,4-dimethylquinoline is sourced from PubChem (CID 12004201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).