2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium

C16H11FIN2+ — CID 10649164

IUPAC2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium
SMILESC[n+]1c2ccc(F)cc2c(I)c2[nH]c3ccccc3c21
InChIInChI=1S/C16H10FIN2/c1-20-13-7-6-9(17)8-11(13)14(18)15-16(20)10-4-2-3-5-12(10)19-15/h2-8H,1H3/p+1
InChIKeyMNYBSIQIGLZCSZ-UHFFFAOYSA-O
MW377.18 g/mol
LogP4.04
Rot. Bonds

About 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium

2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium (PubChem CID 10649164) has the molecular formula C16H11FIN2+ and a molecular weight of 377.18 g/mol. Its IUPAC name is 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium.

Molecular Properties

Compound Name2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium
PubChem CID10649164
Molecular FormulaC16H11FIN2+
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC Name2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium
SMILESC[n+]1c2ccc(F)cc2c(I)c2[nH]c3ccccc3c21
InChIInChI=1S/C16H10FIN2/c1-20-13-7-6-9(17)8-11(13)14(18)15-16(20)10-4-2-3-5-12(10)19-15/h2-8H,1H3/p+1
InChIKeyMNYBSIQIGLZCSZ-UHFFFAOYSA-O
XLogP4.04
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium with MolForge

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Related Compounds

11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
CID 10519777
5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine
CID 67597321
5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide
CID 71681954
2-fluoro-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 58939138
N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine
CID 25132222
2,5-dimethyl-10H-indolo[3,2-b]quinolin-5-ium;ethane
CID 177360716
11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride
CID 67598449
6-iodo-5H-benzo[b]carbazole
CID 166694598
7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid
CID 44581611
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
4-(4-fluorophenyl)sulfanyl-1-methylquinolin-1-ium-2-ol
CID 143635577
5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine
CID 25132228

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium?
The IUPAC name of 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium (CID 10649164) is 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium.
What is the SMILES notation for 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium?
The canonical SMILES for 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium is C[n+]1c2ccc(F)cc2c(I)c2[nH]c3ccccc3c21.
What is the InChIKey of 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium?
The InChIKey is MNYBSIQIGLZCSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H10FIN2/c1-20-13-7-6-9(17)8-11(13)14(18)15-16(20)10-4-2-3-5-12(10)19-15/h2-8H,1H3/p+1.
What are the key properties of 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium?
2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium has a molecular weight of 377.18 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium is sourced from PubChem (CID 10649164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).