1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine

C25H33N5O3 — CID 118263894

IUPAC1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCOCC3)C(OC)C2)n1
InChIInChI=1S/C25H33N5O3/c1-4-23-28-25(33-29-23)19-14-17-13-16(2)5-6-20(17)27-24(19)30-10-7-21(22(15-30)31-3)26-18-8-11-32-12-9-18/h5-6,13-14,18,21-22,26H,4,7-12,15H2,1-3H3
InChIKeyUZSUOZQITIHVDC-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.52
Rot. Bonds6

About 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine

1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 118263894) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine
PubChem CID118263894
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCOCC3)C(OC)C2)n1
InChIInChI=1S/C25H33N5O3/c1-4-23-28-25(33-29-23)19-14-17-13-16(2)5-6-20(17)27-24(19)30-10-7-21(22(15-30)31-3)26-18-8-11-32-12-9-18/h5-6,13-14,18,21-22,26H,4,7-12,15H2,1-3H3
InChIKeyUZSUOZQITIHVDC-UHFFFAOYSA-N
XLogP3.52
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine (CID 118263894) is 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine is CCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCOCC3)C(OC)C2)n1.
What is the InChIKey of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is UZSUOZQITIHVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-4-23-28-25(33-29-23)19-14-17-13-16(2)5-6-20(17)27-24(19)30-10-7-21(22(15-30)31-3)26-18-8-11-32-12-9-18/h5-6,13-14,18,21-22,26H,4,7-12,15H2,1-3H3.
What are the key properties of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine?
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 451.57 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 118263894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).