6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole

C23H23N4+ — CID 157408563

IUPAC6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole
SMILESCc1ccc2c(-c3cc4c(c(C)c3C)-n3cc(C)nc3C4)[n+](C)cnc2c1
InChIInChI=1S/C23H23N4/c1-13-6-7-18-20(8-13)24-12-26(5)23(18)19-9-17-10-21-25-14(2)11-27(21)22(17)16(4)15(19)3/h6-9,11-12H,10H2,1-5H3/q+1
InChIKeyBMTHUQWUXWJRHU-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.05
Rot. Bonds1

About 6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole

6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole (PubChem CID 157408563) has the molecular formula C23H23N4+ and a molecular weight of 355.47 g/mol. Its IUPAC name is 6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole.

Molecular Properties

Compound Name6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole
PubChem CID157408563
Molecular FormulaC23H23N4+
Molecular Weight355.47 g/mol
Exact Mass355.19
IUPAC Name6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole
SMILESCc1ccc2c(-c3cc4c(c(C)c3C)-n3cc(C)nc3C4)[n+](C)cnc2c1
InChIInChI=1S/C23H23N4/c1-13-6-7-18-20(8-13)24-12-26(5)23(18)19-9-17-10-21-25-14(2)11-27(21)22(17)16(4)15(19)3/h6-9,11-12H,10H2,1-5H3/q+1
InChIKeyBMTHUQWUXWJRHU-UHFFFAOYSA-N
XLogP4.05
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluoro-2,3,5-trimethylphenyl)-3,7-dimethylquinazolin-3-ium
CID 123933002
2-(3,7-dimethylquinazolin-3-ium-4-yl)-3,4-dimethyl-11H-indolo[1,2-a]benzimidazole;6-(3,7-dimethylquinazolin-3-ium-4-yl)-7-methyl-2,8-bis(trideuteriomethyl)-4H-imidazo[1,2-a]indole;2-(3,7-dimethylquinazolin-3-ium-4-yl)-3-methyl-4-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole;3-methyl-4-(7-methyl-4H-imidazo[1,2-a]indol-6-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-2-(3-methylquinazolin-3-ium-4-yl)-11H-indolo[1,2-a]benzimidazole
CID 157408560
4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium
CID 123191467
9-(3,7-dimethylquinazolin-3-ium-4-yl)-8-methyl-7-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole
CID 159483407
4-(8,14-dimethyl-13,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,14-heptaen-9-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium
CID 159015903
4-(furan-3-yl)-7-methylquinoline
CID 23370177
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
4-(2,3-dimethylphenyl)-3-methylquinazolin-3-ium
CID 170102494
6-(2,5-dimethylphenyl)-5-methyl-3,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159715529
5-methyl-6-(2,3,5-trimethylphenyl)-3,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157214923
1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone
CID 177460803
4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium
CID 159508083

Frequently Asked Questions

What is the IUPAC name of 6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole?
The IUPAC name of 6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole (CID 157408563) is 6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole.
What is the SMILES notation for 6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole?
The canonical SMILES for 6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole is Cc1ccc2c(-c3cc4c(c(C)c3C)-n3cc(C)nc3C4)[n+](C)cnc2c1.
What is the InChIKey of 6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole?
The InChIKey is BMTHUQWUXWJRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N4/c1-13-6-7-18-20(8-13)24-12-26(5)23(18)19-9-17-10-21-25-14(2)11-27(21)22(17)16(4)15(19)3/h6-9,11-12H,10H2,1-5H3/q+1.
What are the key properties of 6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole?
6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole has a molecular weight of 355.47 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole is sourced from PubChem (CID 157408563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).