[4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol

C25H33N5O2 — CID 118263772

IUPAC[4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
SMILESCc1ccc2cc(-c3nc(C)no3)c(N3CCC(NC4CCCCC4)C(CO)C3)nc2c1
InChIInChI=1S/C25H33N5O2/c1-16-8-9-18-13-21(25-26-17(2)29-32-25)24(28-23(18)12-16)30-11-10-22(19(14-30)15-31)27-20-6-4-3-5-7-20/h8-9,12-13,19-20,22,27,31H,3-7,10-11,14-15H2,1-2H3
InChIKeyLWNRBYWDPUQWTE-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.01
Rot. Bonds5

About [4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol

[4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol (PubChem CID 118263772) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is [4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
PubChem CID118263772
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name[4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
SMILESCc1ccc2cc(-c3nc(C)no3)c(N3CCC(NC4CCCCC4)C(CO)C3)nc2c1
InChIInChI=1S/C25H33N5O2/c1-16-8-9-18-13-21(25-26-17(2)29-32-25)24(28-23(18)12-16)30-11-10-22(19(14-30)15-31)27-20-6-4-3-5-7-20/h8-9,12-13,19-20,22,27,31H,3-7,10-11,14-15H2,1-2H3
InChIKeyLWNRBYWDPUQWTE-UHFFFAOYSA-N
XLogP4.01
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol (CID 118263772) is [4-(cyclohexylamino)-1-[7-methyl-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-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol is Cc1ccc2cc(-c3nc(C)no3)c(N3CCC(NC4CCCCC4)C(CO)C3)nc2c1.
What is the InChIKey of [4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The InChIKey is LWNRBYWDPUQWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-16-8-9-18-13-21(25-26-17(2)29-32-25)24(28-23(18)12-16)30-11-10-22(19(14-30)15-31)27-20-6-4-3-5-7-20/h8-9,12-13,19-20,22,27,31H,3-7,10-11,14-15H2,1-2H3.
What are the key properties of [4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
[4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol has a molecular weight of 435.57 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 118263772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).