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

C24H31N5O2 — CID 118263754

IUPAC(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol
SMILESCc1ccc2nc(N3CC[C@@H](NC4CCCCC4)[C@H](O)C3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C24H31N5O2/c1-15-8-9-20-17(12-15)13-19(24-25-16(2)28-31-24)23(27-20)29-11-10-21(22(30)14-29)26-18-6-4-3-5-7-18/h8-9,12-13,18,21-22,26,30H,3-7,10-11,14H2,1-2H3/t21-,22-/m1/s1
InChIKeyPXHVLGJGTGMOFV-FGZHOGPDSA-N
MW421.55 g/mol
LogP3.76
Rot. Bonds4

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

(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol (PubChem CID 118263754) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol
PubChem CID118263754
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol
SMILESCc1ccc2nc(N3CC[C@@H](NC4CCCCC4)[C@H](O)C3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C24H31N5O2/c1-15-8-9-20-17(12-15)13-19(24-25-16(2)28-31-24)23(27-20)29-11-10-21(22(30)14-29)26-18-6-4-3-5-7-18/h8-9,12-13,18,21-22,26,30H,3-7,10-11,14H2,1-2H3/t21-,22-/m1/s1
InChIKeyPXHVLGJGTGMOFV-FGZHOGPDSA-N
XLogP3.76
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.76
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-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol (CID 118263754) is (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol is Cc1ccc2nc(N3CC[C@@H](NC4CCCCC4)[C@H](O)C3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol?
The InChIKey is PXHVLGJGTGMOFV-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-15-8-9-20-17(12-15)13-19(24-25-16(2)28-31-24)23(27-20)29-11-10-21(22(30)14-29)26-18-6-4-3-5-7-18/h8-9,12-13,18,21-22,26,30H,3-7,10-11,14H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol?
(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol has a molecular weight of 421.55 g/mol, XLogP of 3.76, 4 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-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 118263754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).