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

C26H35N5O2 — CID 118263868

IUPAC(3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CC[C@@H](NC3CCCCC3)[C@@H](OC)C2)n1
InChIInChI=1S/C26H35N5O2/c1-4-24-29-26(33-30-24)20-15-18-14-17(2)10-11-21(18)28-25(20)31-13-12-22(23(16-31)32-3)27-19-8-6-5-7-9-19/h10-11,14-15,19,22-23,27H,4-9,12-13,16H2,1-3H3/t22-,23+/m1/s1
InChIKeyCCXLPYDZSRSDCB-PKTZIBPZSA-N
MW449.60 g/mol
LogP4.67
Rot. Bonds6

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

(3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine (PubChem CID 118263868) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is (3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
PubChem CID118263868
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name(3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CC[C@@H](NC3CCCCC3)[C@@H](OC)C2)n1
InChIInChI=1S/C26H35N5O2/c1-4-24-29-26(33-30-24)20-15-18-14-17(2)10-11-21(18)28-25(20)31-13-12-22(23(16-31)32-3)27-19-8-6-5-7-9-19/h10-11,14-15,19,22-23,27H,4-9,12-13,16H2,1-3H3/t22-,23+/m1/s1
InChIKeyCCXLPYDZSRSDCB-PKTZIBPZSA-N
XLogP4.67
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
The IUPAC name of (3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine (CID 118263868) is (3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine.
What is the SMILES notation for (3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
The canonical SMILES for (3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine is CCc1noc(-c2cc3cc(C)ccc3nc2N2CC[C@@H](NC3CCCCC3)[C@@H](OC)C2)n1.
What is the InChIKey of (3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
The InChIKey is CCXLPYDZSRSDCB-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-4-24-29-26(33-30-24)20-15-18-14-17(2)10-11-21(18)28-25(20)31-13-12-22(23(16-31)32-3)27-19-8-6-5-7-9-19/h10-11,14-15,19,22-23,27H,4-9,12-13,16H2,1-3H3/t22-,23+/m1/s1.
What are the key properties of (3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine?
(3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine has a molecular weight of 449.60 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine is sourced from PubChem (CID 118263868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).