4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline

C30H32F3N5O2 — CID 12004252

IUPAC4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline
SMILESCOc1cc(N2CCN(C3CCN(c4ccc5c(OC)cc(C(F)(F)F)nc5c4)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C30H32F3N5O2/c1-39-23-16-20-4-3-9-34-29(20)26(18-23)38-14-12-37(13-15-38)21-7-10-36(11-8-21)22-5-6-24-25(17-22)35-28(30(31,32)33)19-27(24)40-2/h3-6,9,16-19,21H,7-8,10-15H2,1-2H3
InChIKeyVHDGYUCLNQWJJC-UHFFFAOYSA-N
MW551.61 g/mol
LogP5.61
Rot. Bonds5

About 4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline

4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline (PubChem CID 12004252) has the molecular formula C30H32F3N5O2 and a molecular weight of 551.61 g/mol. Its IUPAC name is 4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline
PubChem CID12004252
Molecular FormulaC30H32F3N5O2
Molecular Weight551.61 g/mol
Exact Mass551.25
IUPAC Name4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline
SMILESCOc1cc(N2CCN(C3CCN(c4ccc5c(OC)cc(C(F)(F)F)nc5c4)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C30H32F3N5O2/c1-39-23-16-20-4-3-9-34-29(20)26(18-23)38-14-12-37(13-15-38)21-7-10-36(11-8-21)22-5-6-24-25(17-22)35-28(30(31,32)33)19-27(24)40-2/h3-6,9,16-19,21H,7-8,10-15H2,1-2H3
InChIKeyVHDGYUCLNQWJJC-UHFFFAOYSA-N
XLogP5.61
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline (CID 12004252) is 4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline is COc1cc(N2CCN(C3CCN(c4ccc5c(OC)cc(C(F)(F)F)nc5c4)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline?
The InChIKey is VHDGYUCLNQWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O2/c1-39-23-16-20-4-3-9-34-29(20)26(18-23)38-14-12-37(13-15-38)21-7-10-36(11-8-21)22-5-6-24-25(17-22)35-28(30(31,32)33)19-27(24)40-2/h3-6,9,16-19,21H,7-8,10-15H2,1-2H3.
What are the key properties of 4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline?
4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline has a molecular weight of 551.61 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 12004252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).