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

C25H33N5O2 — CID 129252250

IUPAC(3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)n1
InChIInChI=1S/C25H33N5O2/c1-3-23-28-25(32-29-23)19-14-17-13-16(2)9-10-20(17)27-24(19)30-12-11-21(22(31)15-30)26-18-7-5-4-6-8-18/h9-10,13-14,18,21-22,26,31H,3-8,11-12,15H2,1-2H3/t21-,22-/m1/s1
InChIKeyZHKLQWZCGQTUBH-FGZHOGPDSA-N
MW435.57 g/mol
LogP4.02
Rot. Bonds5

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

(3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol (PubChem CID 129252250) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol
PubChem CID129252250
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name(3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)n1
InChIInChI=1S/C25H33N5O2/c1-3-23-28-25(32-29-23)19-14-17-13-16(2)9-10-20(17)27-24(19)30-12-11-21(22(31)15-30)26-18-7-5-4-6-8-18/h9-10,13-14,18,21-22,26,31H,3-8,11-12,15H2,1-2H3/t21-,22-/m1/s1
InChIKeyZHKLQWZCGQTUBH-FGZHOGPDSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol (CID 129252250) is (3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol is CCc1noc(-c2cc3cc(C)ccc3nc2N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)n1.
What is the InChIKey of (3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol?
The InChIKey is ZHKLQWZCGQTUBH-FGZHOGPDSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-23-28-25(32-29-23)19-14-17-13-16(2)9-10-20(17)27-24(19)30-12-11-21(22(31)15-30)26-18-7-5-4-6-8-18/h9-10,13-14,18,21-22,26,31H,3-8,11-12,15H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol?
(3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol has a molecular weight of 435.57 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 129252250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).