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

C26H35N5O2 — CID 118263858

IUPAC[4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCCC3)C(CO)C2)n1
InChIInChI=1S/C26H35N5O2/c1-3-24-29-26(33-30-24)21-14-18-13-17(2)9-10-22(18)28-25(21)31-12-11-23(19(15-31)16-32)27-20-7-5-4-6-8-20/h9-10,13-14,19-20,23,27,32H,3-8,11-12,15-16H2,1-2H3
InChIKeyUNMOLWKGAKQIKJ-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.27
Rot. Bonds6

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

[4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol (PubChem CID 118263858) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol
PubChem CID118263858
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name[4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCCC3)C(CO)C2)n1
InChIInChI=1S/C26H35N5O2/c1-3-24-29-26(33-30-24)21-14-18-13-17(2)9-10-22(18)28-25(21)31-12-11-23(19(15-31)16-32)27-20-7-5-4-6-8-20/h9-10,13-14,19-20,23,27,32H,3-8,11-12,15-16H2,1-2H3
InChIKeyUNMOLWKGAKQIKJ-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-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol (CID 118263858) is [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol is CCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCCC3)C(CO)C2)n1.
What is the InChIKey of [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol?
The InChIKey is UNMOLWKGAKQIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-3-24-29-26(33-30-24)21-14-18-13-17(2)9-10-22(18)28-25(21)31-12-11-23(19(15-31)16-32)27-20-7-5-4-6-8-20/h9-10,13-14,19-20,23,27,32H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol?
[4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-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-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 118263858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).