2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone

C22H28N4O2 — CID 141116888

IUPAC2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone
SMILESCCCCc1nc2cnc3ccc(OCC(=O)N4CCCCC4)cc3c2n1C
InChIInChI=1S/C22H28N4O2/c1-3-4-8-20-24-19-14-23-18-10-9-16(13-17(18)22(19)25(20)2)28-15-21(27)26-11-6-5-7-12-26/h9-10,13-14H,3-8,11-12,15H2,1-2H3
InChIKeyBSBQISSMOPVPSL-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.86
Rot. Bonds6

About 2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone

2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone (PubChem CID 141116888) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone
PubChem CID141116888
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone
SMILESCCCCc1nc2cnc3ccc(OCC(=O)N4CCCCC4)cc3c2n1C
InChIInChI=1S/C22H28N4O2/c1-3-4-8-20-24-19-14-23-18-10-9-16(13-17(18)22(19)25(20)2)28-15-21(27)26-11-6-5-7-12-26/h9-10,13-14H,3-8,11-12,15H2,1-2H3
InChIKeyBSBQISSMOPVPSL-UHFFFAOYSA-N
XLogP3.86
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone (CID 141116888) is 2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone is CCCCc1nc2cnc3ccc(OCC(=O)N4CCCCC4)cc3c2n1C.
What is the InChIKey of 2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone?
The InChIKey is BSBQISSMOPVPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-4-8-20-24-19-14-23-18-10-9-16(13-17(18)22(19)25(20)2)28-15-21(27)26-11-6-5-7-12-26/h9-10,13-14H,3-8,11-12,15H2,1-2H3.
What are the key properties of 2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone?
2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone has a molecular weight of 380.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 141116888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).