11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride

C16H12Cl2FN2+ — CID 67598449

IUPAC11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride
SMILESC[n+]1c2ccccc2c(Cl)c2[nH]c3cccc(F)c3c21.Cl
InChIInChI=1S/C16H10ClFN2.ClH/c1-20-12-8-3-2-5-9(12)14(17)15-16(20)13-10(18)6-4-7-11(13)19-15;/h2-8H,1H3;1H/p+1
InChIKeyCWHAQVYRIAXUEU-UHFFFAOYSA-O
MW322.19 g/mol
LogP4.51
Rot. Bonds

About 11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride

11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride (PubChem CID 67598449) has the molecular formula C16H12Cl2FN2+ and a molecular weight of 322.19 g/mol. Its IUPAC name is 11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride.

Molecular Properties

Compound Name11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride
PubChem CID67598449
Molecular FormulaC16H12Cl2FN2+
Molecular Weight322.19 g/mol
Exact Mass321.04
IUPAC Name11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride
SMILESC[n+]1c2ccccc2c(Cl)c2[nH]c3cccc(F)c3c21.Cl
InChIInChI=1S/C16H10ClFN2.ClH/c1-20-12-8-3-2-5-9(12)14(17)15-16(20)13-10(18)6-4-7-11(13)19-15;/h2-8H,1H3;1H/p+1
InChIKeyCWHAQVYRIAXUEU-UHFFFAOYSA-O
XLogP4.51
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of 11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride?
The IUPAC name of 11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride (CID 67598449) is 11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride.
What is the SMILES notation for 11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride?
The canonical SMILES for 11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride is C[n+]1c2ccccc2c(Cl)c2[nH]c3cccc(F)c3c21.Cl.
What is the InChIKey of 11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride?
The InChIKey is CWHAQVYRIAXUEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H10ClFN2.ClH/c1-20-12-8-3-2-5-9(12)14(17)15-16(20)13-10(18)6-4-7-11(13)19-15;/h2-8H,1H3;1H/p+1.
What are the key properties of 11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride?
11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride has a molecular weight of 322.19 g/mol, XLogP of 4.51, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride is sourced from PubChem (CID 67598449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).