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

C25H33N5O2 — CID 118263877

IUPACN-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCC3)C(OC)C2)n1
InChIInChI=1S/C25H33N5O2/c1-4-23-28-25(32-29-23)19-14-17-13-16(2)9-10-20(17)27-24(19)30-12-11-21(22(15-30)31-3)26-18-7-5-6-8-18/h9-10,13-14,18,21-22,26H,4-8,11-12,15H2,1-3H3
InChIKeyDQOLJRAITBNCAU-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.28
Rot. Bonds6

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

N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine (PubChem CID 118263877) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
PubChem CID118263877
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCC3)C(OC)C2)n1
InChIInChI=1S/C25H33N5O2/c1-4-23-28-25(32-29-23)19-14-17-13-16(2)9-10-20(17)27-24(19)30-12-11-21(22(15-30)31-3)26-18-7-5-6-8-18/h9-10,13-14,18,21-22,26H,4-8,11-12,15H2,1-3H3
InChIKeyDQOLJRAITBNCAU-UHFFFAOYSA-N
XLogP4.28
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
The IUPAC name of N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine (CID 118263877) is N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine.
What is the SMILES notation for N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
The canonical SMILES for N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine is CCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCC3)C(OC)C2)n1.
What is the InChIKey of N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
The InChIKey is DQOLJRAITBNCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-4-23-28-25(32-29-23)19-14-17-13-16(2)9-10-20(17)27-24(19)30-12-11-21(22(15-30)31-3)26-18-7-5-6-8-18/h9-10,13-14,18,21-22,26H,4-8,11-12,15H2,1-3H3.
What are the key properties of N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine has a molecular weight of 435.57 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine is sourced from PubChem (CID 118263877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).