2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol

C25H34N4O3 — CID 134413040

IUPAC2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCOC1CN(c2nc3ccccc3cc2C2=NCC(C)O2)CCC1NC1CCCCC1O
InChIInChI=1S/C25H34N4O3/c1-16-14-26-25(32-16)18-13-17-7-3-4-8-19(17)28-24(18)29-12-11-21(23(15-29)31-2)27-20-9-5-6-10-22(20)30/h3-4,7-8,13,16,20-23,27,30H,5-6,9-12,14-15H2,1-2H3
InChIKeyWFSZFUDYOLEHDL-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.89
Rot. Bonds5

About 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol

2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 134413040) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID134413040
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCOC1CN(c2nc3ccccc3cc2C2=NCC(C)O2)CCC1NC1CCCCC1O
InChIInChI=1S/C25H34N4O3/c1-16-14-26-25(32-16)18-13-17-7-3-4-8-19(17)28-24(18)29-12-11-21(23(15-29)31-2)27-20-9-5-6-10-22(20)30/h3-4,7-8,13,16,20-23,27,30H,5-6,9-12,14-15H2,1-2H3
InChIKeyWFSZFUDYOLEHDL-UHFFFAOYSA-N
XLogP2.89
TPSA79.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol (CID 134413040) is 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol is COC1CN(c2nc3ccccc3cc2C2=NCC(C)O2)CCC1NC1CCCCC1O.
What is the InChIKey of 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is WFSZFUDYOLEHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-16-14-26-25(32-16)18-13-17-7-3-4-8-19(17)28-24(18)29-12-11-21(23(15-29)31-2)27-20-9-5-6-10-22(20)30/h3-4,7-8,13,16,20-23,27,30H,5-6,9-12,14-15H2,1-2H3.
What are the key properties of 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 438.57 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-1-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 134413040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).