N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C17H20N4O3 — CID 125435120

IUPACN-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESO=C(NCc1noc([C@H]2CCCO2)n1)c1cccc2c1NCCC2
InChIInChI=1S/C17H20N4O3/c22-16(12-6-1-4-11-5-2-8-18-15(11)12)19-10-14-20-17(24-21-14)13-7-3-9-23-13/h1,4,6,13,18H,2-3,5,7-10H2,(H,19,22)/t13-/m1/s1
InChIKeyJLPMBOYVNAIAGH-CYBMUJFWSA-N
MW328.37 g/mol
LogP2.21
Rot. Bonds4

About N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 125435120) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID125435120
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESO=C(NCc1noc([C@H]2CCCO2)n1)c1cccc2c1NCCC2
InChIInChI=1S/C17H20N4O3/c22-16(12-6-1-4-11-5-2-8-18-15(11)12)19-10-14-20-17(24-21-14)13-7-3-9-23-13/h1,4,6,13,18H,2-3,5,7-10H2,(H,19,22)/t13-/m1/s1
InChIKeyJLPMBOYVNAIAGH-CYBMUJFWSA-N
XLogP2.21
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-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-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 125435120) is N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is O=C(NCc1noc([C@H]2CCCO2)n1)c1cccc2c1NCCC2.
What is the InChIKey of N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is JLPMBOYVNAIAGH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(12-6-1-4-11-5-2-8-18-15(11)12)19-10-14-20-17(24-21-14)13-7-3-9-23-13/h1,4,6,13,18H,2-3,5,7-10H2,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 125435120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).