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

C22H16ClFN2O — CID 10643408

IUPAC2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride
SMILESC[n+]1c2ccc(F)cc2c(Oc2ccccc2)c2[nH]c3ccccc3c21.[Cl-]
InChIInChI=1S/C22H15FN2O.ClH/c1-25-19-12-11-14(23)13-17(19)22(26-15-7-3-2-4-8-15)20-21(25)16-9-5-6-10-18(16)24-20;/h2-13H,1H3;1H
InChIKeyFPBWYXQGTIZFHM-UHFFFAOYSA-N
MW378.83 g/mol
LogP2.23
Rot. Bonds2

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

2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride (PubChem CID 10643408) has the molecular formula C22H16ClFN2O and a molecular weight of 378.83 g/mol. Its IUPAC name is 2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride.

Molecular Properties

Compound Name2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride
PubChem CID10643408
Molecular FormulaC22H16ClFN2O
Molecular Weight378.83 g/mol
Exact Mass378.09
IUPAC Name2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride
SMILESC[n+]1c2ccc(F)cc2c(Oc2ccccc2)c2[nH]c3ccccc3c21.[Cl-]
InChIInChI=1S/C22H15FN2O.ClH/c1-25-19-12-11-14(23)13-17(19)22(26-15-7-3-2-4-8-15)20-21(25)16-9-5-6-10-18(16)24-20;/h2-13H,1H3;1H
InChIKeyFPBWYXQGTIZFHM-UHFFFAOYSA-N
XLogP2.23
TPSA28.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 52.23
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride?
The IUPAC name of 2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride (CID 10643408) is 2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride.
What is the SMILES notation for 2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride?
The canonical SMILES for 2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride is C[n+]1c2ccc(F)cc2c(Oc2ccccc2)c2[nH]c3ccccc3c21.[Cl-].
What is the InChIKey of 2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride?
The InChIKey is FPBWYXQGTIZFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O.ClH/c1-25-19-12-11-14(23)13-17(19)22(26-15-7-3-2-4-8-15)20-21(25)16-9-5-6-10-18(16)24-20;/h2-13H,1H3;1H.
What are the key properties of 2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride?
2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride has a molecular weight of 378.83 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride is sourced from PubChem (CID 10643408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).