6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline

C23H25BrN2O2 — CID 25143753

IUPAC6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline
SMILESCOc1ccc(CN2CCC(Oc3cc(C)nc4ccc(Br)cc34)CC2)cc1
InChIInChI=1S/C23H25BrN2O2/c1-16-13-23(21-14-18(24)5-8-22(21)25-16)28-20-9-11-26(12-10-20)15-17-3-6-19(27-2)7-4-17/h3-8,13-14,20H,9-12,15H2,1-2H3
InChIKeyCQIWPVVZWRYZDL-UHFFFAOYSA-N
MW441.37 g/mol
LogP5.36
Rot. Bonds5

About 6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline

6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline (PubChem CID 25143753) has the molecular formula C23H25BrN2O2 and a molecular weight of 441.37 g/mol. Its IUPAC name is 6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline.

Molecular Properties

Compound Name6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline
PubChem CID25143753
Molecular FormulaC23H25BrN2O2
Molecular Weight441.37 g/mol
Exact Mass440.11
IUPAC Name6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline
SMILESCOc1ccc(CN2CCC(Oc3cc(C)nc4ccc(Br)cc34)CC2)cc1
InChIInChI=1S/C23H25BrN2O2/c1-16-13-23(21-14-18(24)5-8-22(21)25-16)28-20-9-11-26(12-10-20)15-17-3-6-19(27-2)7-4-17/h3-8,13-14,20H,9-12,15H2,1-2H3
InChIKeyCQIWPVVZWRYZDL-UHFFFAOYSA-N
XLogP5.36
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.37
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline?
The IUPAC name of 6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline (CID 25143753) is 6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline.
What is the SMILES notation for 6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline?
The canonical SMILES for 6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline is COc1ccc(CN2CCC(Oc3cc(C)nc4ccc(Br)cc34)CC2)cc1.
What is the InChIKey of 6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline?
The InChIKey is CQIWPVVZWRYZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O2/c1-16-13-23(21-14-18(24)5-8-22(21)25-16)28-20-9-11-26(12-10-20)15-17-3-6-19(27-2)7-4-17/h3-8,13-14,20H,9-12,15H2,1-2H3.
What are the key properties of 6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline?
6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline has a molecular weight of 441.37 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxy-2-methylquinoline is sourced from PubChem (CID 25143753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).