2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane

C21H33N3 — CID 91092436

IUPAC2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane
SMILESCC.CC.Cc1nc2ccccc2c(C2=NCC(C)(C)N2C)c1C
InChIInChI=1S/C17H21N3.2C2H6/c1-11-12(2)19-14-9-7-6-8-13(14)15(11)16-18-10-17(3,4)20(16)5;2*1-2/h6-9H,10H2,1-5H3;2*1-2H3
InChIKeyFNDZISRCGFDQIQ-UHFFFAOYSA-N
MW327.52 g/mol
LogP5.37
Rot. Bonds1

About 2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane

2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane (PubChem CID 91092436) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane.

Molecular Properties

Compound Name2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane
PubChem CID91092436
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane
SMILESCC.CC.Cc1nc2ccccc2c(C2=NCC(C)(C)N2C)c1C
InChIInChI=1S/C17H21N3.2C2H6/c1-11-12(2)19-14-9-7-6-8-13(14)15(11)16-18-10-17(3,4)20(16)5;2*1-2/h6-9H,10H2,1-5H3;2*1-2H3
InChIKeyFNDZISRCGFDQIQ-UHFFFAOYSA-N
XLogP5.37
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten
CID 160609968
4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline
CID 12043659
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 15154348
ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780
2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 588375
bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane
CID 158524529
9-(1,2,2,3-tetramethylperimidin-6-yl)acridine
CID 91199598
2,3-dimethylquinoline-4-carbonyl chloride
CID 59105963
2,3-dimethylquinoline-4-carbothioamide
CID 13245257
2,3,4-trimethylpyrimido[1,2-b]indazole
CID 21240475
3,3,5,6-tetramethyl-2,4-dihydro-1H-indolo[2,3-c]quinoline
CID 131664712

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane?
The IUPAC name of 2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane (CID 91092436) is 2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane.
What is the SMILES notation for 2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane?
The canonical SMILES for 2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane is CC.CC.Cc1nc2ccccc2c(C2=NCC(C)(C)N2C)c1C.
What is the InChIKey of 2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane?
The InChIKey is FNDZISRCGFDQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.2C2H6/c1-11-12(2)19-14-9-7-6-8-13(14)15(11)16-18-10-17(3,4)20(16)5;2*1-2/h6-9H,10H2,1-5H3;2*1-2H3.
What are the key properties of 2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane?
2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane has a molecular weight of 327.52 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane is sourced from PubChem (CID 91092436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).