5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline

C21H23N5 — CID 141143475

IUPAC5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline
SMILESCCN1CCC(C)(C)c2cc3[nH]c(-c4n[nH]c5ccccc45)nc3cc21
InChIInChI=1S/C21H23N5/c1-4-26-10-9-21(2,3)14-11-16-17(12-18(14)26)23-20(22-16)19-13-7-5-6-8-15(13)24-25-19/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyULSOKLLAKQDIEK-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.61
Rot. Bonds2

About 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline

5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline (PubChem CID 141143475) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline.

Molecular Properties

Compound Name5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline
PubChem CID141143475
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline
SMILESCCN1CCC(C)(C)c2cc3[nH]c(-c4n[nH]c5ccccc45)nc3cc21
InChIInChI=1S/C21H23N5/c1-4-26-10-9-21(2,3)14-11-16-17(12-18(14)26)23-20(22-16)19-13-7-5-6-8-15(13)24-25-19/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyULSOKLLAKQDIEK-UHFFFAOYSA-N
XLogP4.61
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline with MolForge

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Related Compounds

5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135487519
2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135461273
5-(cyclopropylmethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one;5,6-diamino-1-(cyclopropylmethyl)-3,3-dimethylindol-2-one
CID 159661590
2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one
CID 135502960
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563
5-ethyl-2-[6-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indazol-3-yl]-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135797371
5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole
CID 141153503
2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
CID 135820141
N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide
CID 136650351
acetic acid;2-[5-(1,3-benzodioxol-5-yl)-1H-indazol-3-yl]-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135797361
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde
CID 142236684

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline?
The IUPAC name of 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline (CID 141143475) is 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline.
What is the SMILES notation for 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline?
The canonical SMILES for 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline is CCN1CCC(C)(C)c2cc3[nH]c(-c4n[nH]c5ccccc45)nc3cc21.
What is the InChIKey of 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline?
The InChIKey is ULSOKLLAKQDIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-4-26-10-9-21(2,3)14-11-16-17(12-18(14)26)23-20(22-16)19-13-7-5-6-8-15(13)24-25-19/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline?
5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline has a molecular weight of 345.45 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline is sourced from PubChem (CID 141143475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).