5,6-dimethylindolo[2,3-b]quinolin-5-ium

C17H15N2+ — CID 2750305

IUPAC5,6-dimethylindolo[2,3-b]quinolin-5-ium
SMILESCn1c2ccccc2c2cc3ccccc3[n+](C)c21
InChIInChI=1S/C17H15N2/c1-18-15-9-5-3-7-12(15)11-14-13-8-4-6-10-16(13)19(2)17(14)18/h3-11H,1-2H3/q+1
InChIKeyFXELNBSRNHUCQO-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.31
Rot. Bonds

About 5,6-dimethylindolo[2,3-b]quinolin-5-ium

5,6-dimethylindolo[2,3-b]quinolin-5-ium (PubChem CID 2750305) has the molecular formula C17H15N2+ and a molecular weight of 247.32 g/mol. Its IUPAC name is 5,6-dimethylindolo[2,3-b]quinolin-5-ium.

Molecular Properties

Compound Name5,6-dimethylindolo[2,3-b]quinolin-5-ium
PubChem CID2750305
Molecular FormulaC17H15N2+
Molecular Weight247.32 g/mol
Exact Mass247.12
IUPAC Name5,6-dimethylindolo[2,3-b]quinolin-5-ium
SMILESCn1c2ccccc2c2cc3ccccc3[n+](C)c21
InChIInChI=1S/C17H15N2/c1-18-15-9-5-3-7-12(15)11-14-13-8-4-6-10-16(13)19(2)17(14)18/h3-11H,1-2H3/q+1
InChIKeyFXELNBSRNHUCQO-UHFFFAOYSA-N
XLogP3.31
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium
CID 170272131
5-methylphenanthridine-6-thione
CID 71374474
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
5-chlorobenzo[b]carbazole
CID 139496406
1,9-dimethyl-3-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]pyrido[3,4-b]indole
CID 175065484
1,3-dimethyl-2-(2-methylnaphtho[2,3-b][1]benzofuran-3-yl)benzimidazol-3-ium
CID 176787861
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
9-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2(10),3,5,7,11,13,15,17,19,21,23-dodecaene
CID 158780062
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
(1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane
CID 12665115
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylindolo[2,3-b]quinolin-5-ium?
The IUPAC name of 5,6-dimethylindolo[2,3-b]quinolin-5-ium (CID 2750305) is 5,6-dimethylindolo[2,3-b]quinolin-5-ium.
What is the SMILES notation for 5,6-dimethylindolo[2,3-b]quinolin-5-ium?
The canonical SMILES for 5,6-dimethylindolo[2,3-b]quinolin-5-ium is Cn1c2ccccc2c2cc3ccccc3[n+](C)c21.
What is the InChIKey of 5,6-dimethylindolo[2,3-b]quinolin-5-ium?
The InChIKey is FXELNBSRNHUCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N2/c1-18-15-9-5-3-7-12(15)11-14-13-8-4-6-10-16(13)19(2)17(14)18/h3-11H,1-2H3/q+1.
What are the key properties of 5,6-dimethylindolo[2,3-b]quinolin-5-ium?
5,6-dimethylindolo[2,3-b]quinolin-5-ium has a molecular weight of 247.32 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylindolo[2,3-b]quinolin-5-ium is sourced from PubChem (CID 2750305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).