N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine

C26H35N5O2 — CID 73296774

IUPACN-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2nc3cc(C)c(C)cc3cc2-c2nc(C)no2)CCC1NC1CCCCC1
InChIInChI=1S/C26H35N5O2/c1-16-12-19-14-21(26-27-18(3)30-33-26)25(29-23(19)13-17(16)2)31-11-10-22(24(15-31)32-4)28-20-8-6-5-7-9-20/h12-14,20,22,24,28H,5-11,15H2,1-4H3
InChIKeyOFDNGNRGTMQAQN-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.73
Rot. Bonds5

About N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine

N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine (PubChem CID 73296774) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine
PubChem CID73296774
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2nc3cc(C)c(C)cc3cc2-c2nc(C)no2)CCC1NC1CCCCC1
InChIInChI=1S/C26H35N5O2/c1-16-12-19-14-21(26-27-18(3)30-33-26)25(29-23(19)13-17(16)2)31-11-10-22(24(15-31)32-4)28-20-8-6-5-7-9-20/h12-14,20,22,24,28H,5-11,15H2,1-4H3
InChIKeyOFDNGNRGTMQAQN-UHFFFAOYSA-N
XLogP4.73
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine?
The IUPAC name of N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine (CID 73296774) is N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine is COC1CN(c2nc3cc(C)c(C)cc3cc2-c2nc(C)no2)CCC1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine?
The InChIKey is OFDNGNRGTMQAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-16-12-19-14-21(26-27-18(3)30-33-26)25(29-23(19)13-17(16)2)31-11-10-22(24(15-31)32-4)28-20-8-6-5-7-9-20/h12-14,20,22,24,28H,5-11,15H2,1-4H3.
What are the key properties of N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine?
N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine has a molecular weight of 449.60 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine is sourced from PubChem (CID 73296774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).