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

C24H30N4O2 — CID 118263801

IUPAC[4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol
SMILESOCC1CN(c2nc3ccccc3cc2-c2ncco2)CCC1NC1CCCCC1
InChIInChI=1S/C24H30N4O2/c29-16-18-15-28(12-10-22(18)26-19-7-2-1-3-8-19)23-20(24-25-11-13-30-24)14-17-6-4-5-9-21(17)27-23/h4-6,9,11,13-14,18-19,22,26,29H,1-3,7-8,10,12,15-16H2
InChIKeyAZIRADPKPZPHOA-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.00
Rot. Bonds5

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

[4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol (PubChem CID 118263801) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is [4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol
PubChem CID118263801
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name[4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol
SMILESOCC1CN(c2nc3ccccc3cc2-c2ncco2)CCC1NC1CCCCC1
InChIInChI=1S/C24H30N4O2/c29-16-18-15-28(12-10-22(18)26-19-7-2-1-3-8-19)23-20(24-25-11-13-30-24)14-17-6-4-5-9-21(17)27-23/h4-6,9,11,13-14,18-19,22,26,29H,1-3,7-8,10,12,15-16H2
InChIKeyAZIRADPKPZPHOA-UHFFFAOYSA-N
XLogP4.00
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol (CID 118263801) is [4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol is OCC1CN(c2nc3ccccc3cc2-c2ncco2)CCC1NC1CCCCC1.
What is the InChIKey of [4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The InChIKey is AZIRADPKPZPHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-16-18-15-28(12-10-22(18)26-19-7-2-1-3-8-19)23-20(24-25-11-13-30-24)14-17-6-4-5-9-21(17)27-23/h4-6,9,11,13-14,18-19,22,26,29H,1-3,7-8,10,12,15-16H2.
What are the key properties of [4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol?
[4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol has a molecular weight of 406.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylamino)-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 118263801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).