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[4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol

C26H35N5O2 — CID 118263844

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
SMILESCCc1ccc2nc(N3CCC(NC4CCCCC4)C(CO)C3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C26H35N5O2/c1-3-18-9-10-23-19(13-18)14-22(26-27-17(2)30-33-26)25(29-23)31-12-11-24(20(15-31)16-32)28-21-7-5-4-6-8-21/h9-10,13-14,20-21,24,28,32H,3-8,11-12,15-16H2,1-2H3
InChIKeyYQDSWSBEUMQOFO-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.27
Rot. Bonds6

About [4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol

[4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol (PubChem CID 118263844) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is [4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
PubChem CID118263844
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name[4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
SMILESCCc1ccc2nc(N3CCC(NC4CCCCC4)C(CO)C3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C26H35N5O2/c1-3-18-9-10-23-19(13-18)14-22(26-27-17(2)30-33-26)25(29-23)31-12-11-24(20(15-31)16-32)28-21-7-5-4-6-8-21/h9-10,13-14,20-21,24,28,32H,3-8,11-12,15-16H2,1-2H3
InChIKeyYQDSWSBEUMQOFO-UHFFFAOYSA-N
XLogP4.27
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol (CID 118263844) is [4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol is CCc1ccc2nc(N3CCC(NC4CCCCC4)C(CO)C3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of [4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The InChIKey is YQDSWSBEUMQOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-3-18-9-10-23-19(13-18)14-22(26-27-17(2)30-33-26)25(29-23)31-12-11-24(20(15-31)16-32)28-21-7-5-4-6-8-21/h9-10,13-14,20-21,24,28,32H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of [4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
[4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol has a molecular weight of 449.60 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylamino)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 118263844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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