N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine

C27H35N5O2 — CID 118263873

IUPACN-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2nc3ccc(C)cc3cc2-c2nc(C3CC3)no2)CCC1NC1CCCCC1
InChIInChI=1S/C27H35N5O2/c1-17-8-11-22-19(14-17)15-21(27-30-25(31-34-27)18-9-10-18)26(29-22)32-13-12-23(24(16-32)33-2)28-20-6-4-3-5-7-20/h8,11,14-15,18,20,23-24,28H,3-7,9-10,12-13,16H2,1-2H3
InChIKeyRDZRZHRSUGKPFT-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.99
Rot. Bonds6

About N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine

N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine (PubChem CID 118263873) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
PubChem CID118263873
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2nc3ccc(C)cc3cc2-c2nc(C3CC3)no2)CCC1NC1CCCCC1
InChIInChI=1S/C27H35N5O2/c1-17-8-11-22-19(14-17)15-21(27-30-25(31-34-27)18-9-10-18)26(29-22)32-13-12-23(24(16-32)33-2)28-20-6-4-3-5-7-20/h8,11,14-15,18,20,23-24,28H,3-7,9-10,12-13,16H2,1-2H3
InChIKeyRDZRZHRSUGKPFT-UHFFFAOYSA-N
XLogP4.99
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
The IUPAC name of N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine (CID 118263873) is N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine is COC1CN(c2nc3ccc(C)cc3cc2-c2nc(C3CC3)no2)CCC1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
The InChIKey is RDZRZHRSUGKPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-17-8-11-22-19(14-17)15-21(27-30-25(31-34-27)18-9-10-18)26(29-22)32-13-12-23(24(16-32)33-2)28-20-6-4-3-5-7-20/h8,11,14-15,18,20,23-24,28H,3-7,9-10,12-13,16H2,1-2H3.
What are the key properties of N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine has a molecular weight of 461.61 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine is sourced from PubChem (CID 118263873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).