N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide

C20H24N4O — CID 70712385

IUPACN-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide
SMILESCCc1nccn1CCNC(=O)c1cc(C)nc2c(C)c(C)ccc12
InChIInChI=1S/C20H24N4O/c1-5-18-21-8-10-24(18)11-9-22-20(25)17-12-14(3)23-19-15(4)13(2)6-7-16(17)19/h6-8,10,12H,5,9,11H2,1-4H3,(H,22,25)
InChIKeyURLWQLBYDATTHL-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide

N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide (PubChem CID 70712385) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide
PubChem CID70712385
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide
SMILESCCc1nccn1CCNC(=O)c1cc(C)nc2c(C)c(C)ccc12
InChIInChI=1S/C20H24N4O/c1-5-18-21-8-10-24(18)11-9-22-20(25)17-12-14(3)23-19-15(4)13(2)6-7-16(17)19/h6-8,10,12H,5,9,11H2,1-4H3,(H,22,25)
InChIKeyURLWQLBYDATTHL-UHFFFAOYSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide
CID 70788382
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]benzamide
CID 167947657
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91759660
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(4-fluorophenyl)benzamide
CID 91785685
3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 46997983
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70762663
N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 91777093
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274
1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 118777639
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91793772
2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide
CID 70718889
N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
CID 13371088

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide (CID 70712385) is N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide is CCc1nccn1CCNC(=O)c1cc(C)nc2c(C)c(C)ccc12.
What is the InChIKey of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide?
The InChIKey is URLWQLBYDATTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-5-18-21-8-10-24(18)11-9-22-20(25)17-12-14(3)23-19-15(4)13(2)6-7-16(17)19/h6-8,10,12H,5,9,11H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide?
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 70712385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).