N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide

C21H22N6O2 — CID 95229601

IUPACN-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
SMILESCCc1noc([C@@H](C)NC(=O)c2c(C)c(-c3cn[nH]c3)nc3ccc(C)cc23)n1
InChIInChI=1S/C21H22N6O2/c1-5-17-26-21(29-27-17)13(4)24-20(28)18-12(3)19(14-9-22-23-10-14)25-16-7-6-11(2)8-15(16)18/h6-10,13H,5H2,1-4H3,(H,22,23)(H,24,28)/t13-/m1/s1
InChIKeyXCZPEWCRBGVUEF-CYBMUJFWSA-N
MW390.45 g/mol
LogP3.68
Rot. Bonds5

About N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide

N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 95229601) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
PubChem CID95229601
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
SMILESCCc1noc([C@@H](C)NC(=O)c2c(C)c(-c3cn[nH]c3)nc3ccc(C)cc23)n1
InChIInChI=1S/C21H22N6O2/c1-5-17-26-21(29-27-17)13(4)24-20(28)18-12(3)19(14-9-22-23-10-14)25-16-7-6-11(2)8-15(16)18/h6-10,13H,5H2,1-4H3,(H,22,23)(H,24,28)/t13-/m1/s1
InChIKeyXCZPEWCRBGVUEF-CYBMUJFWSA-N
XLogP3.68
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-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-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide (CID 95229601) is N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide is CCc1noc([C@@H](C)NC(=O)c2c(C)c(-c3cn[nH]c3)nc3ccc(C)cc23)n1.
What is the InChIKey of N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is XCZPEWCRBGVUEF-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-5-17-26-21(29-27-17)13(4)24-20(28)18-12(3)19(14-9-22-23-10-14)25-16-7-6-11(2)8-15(16)18/h6-10,13H,5H2,1-4H3,(H,22,23)(H,24,28)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 95229601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).