2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide

C18H18IN3O — CID 25132922

IUPAC2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide
SMILESC[n+]1c2ccccc2c(NCCO)c2[nH]c3ccccc3c21.[I-]
InChIInChI=1S/C18H17N3O.HI/c1-21-15-9-5-3-7-13(15)16(19-10-11-22)17-18(21)12-6-2-4-8-14(12)20-17;/h2-9,22H,10-11H2,1H3,(H,19,20);1H
InChIKeyPIDHJPVKNNEUCI-UHFFFAOYSA-N
MW419.27 g/mol
LogP-0.29
Rot. Bonds3

About 2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide

2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide (PubChem CID 25132922) has the molecular formula C18H18IN3O and a molecular weight of 419.27 g/mol. Its IUPAC name is 2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide.

Molecular Properties

Compound Name2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide
PubChem CID25132922
Molecular FormulaC18H18IN3O
Molecular Weight419.27 g/mol
Exact Mass419.05
IUPAC Name2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide
SMILESC[n+]1c2ccccc2c(NCCO)c2[nH]c3ccccc3c21.[I-]
InChIInChI=1S/C18H17N3O.HI/c1-21-15-9-5-3-7-13(15)16(19-10-11-22)17-18(21)12-6-2-4-8-14(12)20-17;/h2-9,22H,10-11H2,1H3,(H,19,20);1H
InChIKeyPIDHJPVKNNEUCI-UHFFFAOYSA-N
XLogP-0.29
TPSA51.93 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide?
The IUPAC name of 2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide (CID 25132922) is 2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide.
What is the SMILES notation for 2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide?
The canonical SMILES for 2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide is C[n+]1c2ccccc2c(NCCO)c2[nH]c3ccccc3c21.[I-].
What is the InChIKey of 2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide?
The InChIKey is PIDHJPVKNNEUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O.HI/c1-21-15-9-5-3-7-13(15)16(19-10-11-22)17-18(21)12-6-2-4-8-14(12)20-17;/h2-9,22H,10-11H2,1H3,(H,19,20);1H.
What are the key properties of 2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide?
2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide has a molecular weight of 419.27 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]ethanol iodide is sourced from PubChem (CID 25132922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).