N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide

C20H24N4O2 — CID 46982276

IUPACN,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCc2noc(C(C)C)n2)c2cccc(C)c2n1
InChIInChI=1S/C20H24N4O2/c1-12(2)19-22-17(23-26-19)9-10-24(5)20(25)16-11-14(4)21-18-13(3)7-6-8-15(16)18/h6-8,11-12H,9-10H2,1-5H3
InChIKeyLNUPUEQWBBDSBN-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.67
Rot. Bonds5

About N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide

N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide (PubChem CID 46982276) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide
PubChem CID46982276
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCc2noc(C(C)C)n2)c2cccc(C)c2n1
InChIInChI=1S/C20H24N4O2/c1-12(2)19-22-17(23-26-19)9-10-24(5)20(25)16-11-14(4)21-18-13(3)7-6-8-15(16)18/h6-8,11-12H,9-10H2,1-5H3
InChIKeyLNUPUEQWBBDSBN-UHFFFAOYSA-N
XLogP3.67
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide (CID 46982276) is N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)N(C)CCc2noc(C(C)C)n2)c2cccc(C)c2n1.
What is the InChIKey of N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is LNUPUEQWBBDSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12(2)19-22-17(23-26-19)9-10-24(5)20(25)16-11-14(4)21-18-13(3)7-6-8-15(16)18/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide?
N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 46982276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).