(3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol

C23H28N4O2 — CID 118263776

IUPAC(3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol
SMILESO[C@@H]1CN(c2nc3ccccc3cc2-c2ncco2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C23H28N4O2/c28-21-15-27(12-10-20(21)25-17-7-2-1-3-8-17)22-18(23-24-11-13-29-23)14-16-6-4-5-9-19(16)26-22/h4-6,9,11,13-14,17,20-21,25,28H,1-3,7-8,10,12,15H2/t20-,21-/m1/s1
InChIKeyLFGUOMWNLGKCGQ-NHCUHLMSSA-N
MW392.50 g/mol
LogP3.75
Rot. Bonds4

About (3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol

(3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol (PubChem CID 118263776) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol
PubChem CID118263776
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol
SMILESO[C@@H]1CN(c2nc3ccccc3cc2-c2ncco2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C23H28N4O2/c28-21-15-27(12-10-20(21)25-17-7-2-1-3-8-17)22-18(23-24-11-13-29-23)14-16-6-4-5-9-19(16)26-22/h4-6,9,11,13-14,17,20-21,25,28H,1-3,7-8,10,12,15H2/t20-,21-/m1/s1
InChIKeyLFGUOMWNLGKCGQ-NHCUHLMSSA-N
XLogP3.75
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol (CID 118263776) is (3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol is O[C@@H]1CN(c2nc3ccccc3cc2-c2ncco2)CC[C@H]1NC1CCCCC1.
What is the InChIKey of (3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol?
The InChIKey is LFGUOMWNLGKCGQ-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-21-15-27(12-10-20(21)25-17-7-2-1-3-8-17)22-18(23-24-11-13-29-23)14-16-6-4-5-9-19(16)26-22/h4-6,9,11,13-14,17,20-21,25,28H,1-3,7-8,10,12,15H2/t20-,21-/m1/s1.
What are the key properties of (3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol?
(3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol has a molecular weight of 392.50 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 118263776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).