N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine

C24H30N4O2 — CID 118263771

IUPACN-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine
SMILESCOC1CN(c2nc3ccccc3cc2-c2ncco2)CCC1NC1CCCCC1
InChIInChI=1S/C24H30N4O2/c1-29-22-16-28(13-11-21(22)26-18-8-3-2-4-9-18)23-19(24-25-12-14-30-24)15-17-7-5-6-10-20(17)27-23/h5-7,10,12,14-15,18,21-22,26H,2-4,8-9,11,13,16H2,1H3
InChIKeyDAEIPUMZIUMHHB-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.41
Rot. Bonds5

About N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine

N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine (PubChem CID 118263771) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine
PubChem CID118263771
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine
SMILESCOC1CN(c2nc3ccccc3cc2-c2ncco2)CCC1NC1CCCCC1
InChIInChI=1S/C24H30N4O2/c1-29-22-16-28(13-11-21(22)26-18-8-3-2-4-9-18)23-19(24-25-12-14-30-24)15-17-7-5-6-10-20(17)27-23/h5-7,10,12,14-15,18,21-22,26H,2-4,8-9,11,13,16H2,1H3
InChIKeyDAEIPUMZIUMHHB-UHFFFAOYSA-N
XLogP4.41
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine?
The IUPAC name of N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine (CID 118263771) is N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine?
The canonical SMILES for N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine is COC1CN(c2nc3ccccc3cc2-c2ncco2)CCC1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine?
The InChIKey is DAEIPUMZIUMHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-29-22-16-28(13-11-21(22)26-18-8-3-2-4-9-18)23-19(24-25-12-14-30-24)15-17-7-5-6-10-20(17)27-23/h5-7,10,12,14-15,18,21-22,26H,2-4,8-9,11,13,16H2,1H3.
What are the key properties of N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine?
N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine has a molecular weight of 406.53 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methoxy-1-[3-(1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 118263771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).