N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide

C20H22N4O2 — CID 53181931

IUPACN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide
SMILESCCc1noc(C2(NC(=O)c3nccc4ccccc34)CCCCC2)n1
InChIInChI=1S/C20H22N4O2/c1-2-16-22-19(26-24-16)20(11-6-3-7-12-20)23-18(25)17-15-9-5-4-8-14(15)10-13-21-17/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,23,25)
InChIKeyFFNMQKYDELHJII-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide (PubChem CID 53181931) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide
PubChem CID53181931
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide
SMILESCCc1noc(C2(NC(=O)c3nccc4ccccc34)CCCCC2)n1
InChIInChI=1S/C20H22N4O2/c1-2-16-22-19(26-24-16)20(11-6-3-7-12-20)23-18(25)17-15-9-5-4-8-14(15)10-13-21-17/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,23,25)
InChIKeyFFNMQKYDELHJII-UHFFFAOYSA-N
XLogP3.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide 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 N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide (CID 53181931) is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide is CCc1noc(C2(NC(=O)c3nccc4ccccc34)CCCCC2)n1.
What is the InChIKey of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide?
The InChIKey is FFNMQKYDELHJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-16-22-19(26-24-16)20(11-6-3-7-12-20)23-18(25)17-15-9-5-4-8-14(15)10-13-21-17/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,23,25).
What are the key properties of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide?
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 53181931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).