2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide

C18H20N4O3 — CID 70788382

IUPAC2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCOc2nonc2C)c2ccc(C)c(C)c2n1
InChIInChI=1S/C18H20N4O3/c1-10-5-6-14-15(9-11(2)20-16(14)12(10)3)17(23)19-7-8-24-18-13(4)21-25-22-18/h5-6,9H,7-8H2,1-4H3,(H,19,23)
InChIKeyFSCZKCZGKOKADH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.66
Rot. Bonds5

About 2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide

2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide (PubChem CID 70788382) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide
PubChem CID70788382
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCOc2nonc2C)c2ccc(C)c(C)c2n1
InChIInChI=1S/C18H20N4O3/c1-10-5-6-14-15(9-11(2)20-16(14)12(10)3)17(23)19-7-8-24-18-13(4)21-25-22-18/h5-6,9H,7-8H2,1-4H3,(H,19,23)
InChIKeyFSCZKCZGKOKADH-UHFFFAOYSA-N
XLogP2.66
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide
CID 119069013
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 90650767
3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 46997983
7-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 77082153
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70712385
3-fluoro-7-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 119073719
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70762663
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56899511
(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide
CID 126423652
4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide
CID 72852410
1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide
CID 157018704
2-indazol-1-yl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]acetamide
CID 90652276

Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide (CID 70788382) is 2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCCOc2nonc2C)c2ccc(C)c(C)c2n1.
What is the InChIKey of 2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide?
The InChIKey is FSCZKCZGKOKADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10-5-6-14-15(9-11(2)20-16(14)12(10)3)17(23)19-7-8-24-18-13(4)21-25-22-18/h5-6,9H,7-8H2,1-4H3,(H,19,23).
What are the key properties of 2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide?
2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 70788382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).