N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine

C25H34N4O2 — CID 118263828

IUPACN-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine
SMILESCOC1CN(c2nc3ccccc3cc2C2=NC(C)CO2)CCC1NC1CCCCC1
InChIInChI=1S/C25H34N4O2/c1-17-16-31-25(26-17)20-14-18-8-6-7-11-21(18)28-24(20)29-13-12-22(23(15-29)30-2)27-19-9-4-3-5-10-19/h6-8,11,14,17,19,22-23,27H,3-5,9-10,12-13,15-16H2,1-2H3
InChIKeyNHMTXQUVMUXXIL-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.92
Rot. Bonds5

About N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine

N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine (PubChem CID 118263828) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine
PubChem CID118263828
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine
SMILESCOC1CN(c2nc3ccccc3cc2C2=NC(C)CO2)CCC1NC1CCCCC1
InChIInChI=1S/C25H34N4O2/c1-17-16-31-25(26-17)20-14-18-8-6-7-11-21(18)28-24(20)29-13-12-22(23(15-29)30-2)27-19-9-4-3-5-10-19/h6-8,11,14,17,19,22-23,27H,3-5,9-10,12-13,15-16H2,1-2H3
InChIKeyNHMTXQUVMUXXIL-UHFFFAOYSA-N
XLogP3.92
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.92
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-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine?
The IUPAC name of N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine (CID 118263828) is N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine?
The canonical SMILES for N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine is COC1CN(c2nc3ccccc3cc2C2=NC(C)CO2)CCC1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine?
The InChIKey is NHMTXQUVMUXXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17-16-31-25(26-17)20-14-18-8-6-7-11-21(18)28-24(20)29-13-12-22(23(15-29)30-2)27-19-9-4-3-5-10-19/h6-8,11,14,17,19,22-23,27H,3-5,9-10,12-13,15-16H2,1-2H3.
What are the key properties of N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine?
N-cyclohexyl-3-methoxy-1-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine has a molecular weight of 422.57 g/mol, XLogP of 3.92, 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-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 118263828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).