7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid

C17H12BrN2O2+ — CID 44581611

IUPAC7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid
SMILESC[n+]1c2ccccc2c(C(=O)O)c2[nH]c3ccc(Br)cc3c21
InChIInChI=1S/C17H11BrN2O2/c1-20-13-5-3-2-4-10(13)14(17(21)22)15-16(20)11-8-9(18)6-7-12(11)19-15/h2-8H,1H3,(H,21,22)/p+1
InChIKeyACEUXOHYQNBYSH-UHFFFAOYSA-O
MW356.20 g/mol
LogP3.76
Rot. Bonds1

About 7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid

7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid (PubChem CID 44581611) has the molecular formula C17H12BrN2O2+ and a molecular weight of 356.20 g/mol. Its IUPAC name is 7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid.

Molecular Properties

Compound Name7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid
PubChem CID44581611
Molecular FormulaC17H12BrN2O2+
Molecular Weight356.20 g/mol
Exact Mass355.01
IUPAC Name7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid
SMILESC[n+]1c2ccccc2c(C(=O)O)c2[nH]c3ccc(Br)cc3c21
InChIInChI=1S/C17H11BrN2O2/c1-20-13-5-3-2-4-10(13)14(17(21)22)15-16(20)11-8-9(18)6-7-12(11)19-15/h2-8H,1H3,(H,21,22)/p+1
InChIKeyACEUXOHYQNBYSH-UHFFFAOYSA-O
XLogP3.76
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 53.76
H-Bond Donors ≤ 52
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

10-methylacridin-10-ium-9-carboxylic acid;yttrium
CID 167515495
5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine
CID 67597321
11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
CID 10519777
7-bromo-9-oxo-10H-acridine-4-carboxylic acid
CID 627079
5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide
CID 71681954
3-(4-bromo-2,6-dimethylphenyl)-1-methyl-2-phenylquinolin-1-ium-4-carboxylic acid
CID 154095058
17-bromo-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 88867954
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
10-bromo-6-methyl-7H-benzo[c]carbazole
CID 71526861
7-bromo-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,14,16,18-octaen-12-one
CID 155137725
2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride
CID 10713509
8-bromo-5-phenyl-11H-benzo[a]carbazole
CID 176551555

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid?
The IUPAC name of 7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid (CID 44581611) is 7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid.
What is the SMILES notation for 7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid?
The canonical SMILES for 7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid is C[n+]1c2ccccc2c(C(=O)O)c2[nH]c3ccc(Br)cc3c21.
What is the InChIKey of 7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid?
The InChIKey is ACEUXOHYQNBYSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H11BrN2O2/c1-20-13-5-3-2-4-10(13)14(17(21)22)15-16(20)11-8-9(18)6-7-12(11)19-15/h2-8H,1H3,(H,21,22)/p+1.
What are the key properties of 7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid?
7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid has a molecular weight of 356.20 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid is sourced from PubChem (CID 44581611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).