3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide

C19H20IN3O — CID 25132229

IUPAC3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide
SMILESC[n+]1c2ccccc2c(NCCCO)c2[nH]c3ccccc3c21.[I-]
InChIInChI=1S/C19H19N3O.HI/c1-22-16-10-5-3-8-14(16)17(20-11-6-12-23)18-19(22)13-7-2-4-9-15(13)21-18;/h2-5,7-10,23H,6,11-12H2,1H3,(H,20,21);1H
InChIKeyAKNYERZQNLQHJI-UHFFFAOYSA-N
MW433.29 g/mol
LogP0.10
Rot. Bonds4

About 3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide

3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide (PubChem CID 25132229) has the molecular formula C19H20IN3O and a molecular weight of 433.29 g/mol. Its IUPAC name is 3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide.

Molecular Properties

Compound Name3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide
PubChem CID25132229
Molecular FormulaC19H20IN3O
Molecular Weight433.29 g/mol
Exact Mass433.07
IUPAC Name3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide
SMILESC[n+]1c2ccccc2c(NCCCO)c2[nH]c3ccccc3c21.[I-]
InChIInChI=1S/C19H19N3O.HI/c1-22-16-10-5-3-8-14(16)17(20-11-6-12-23)18-19(22)13-7-2-4-9-15(13)21-18;/h2-5,7-10,23H,6,11-12H2,1H3,(H,20,21);1H
InChIKeyAKNYERZQNLQHJI-UHFFFAOYSA-N
XLogP0.10
TPSA51.93 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide?
The IUPAC name of 3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide (CID 25132229) is 3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide.
What is the SMILES notation for 3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide?
The canonical SMILES for 3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide is C[n+]1c2ccccc2c(NCCCO)c2[nH]c3ccccc3c21.[I-].
What is the InChIKey of 3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide?
The InChIKey is AKNYERZQNLQHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.HI/c1-22-16-10-5-3-8-14(16)17(20-11-6-12-23)18-19(22)13-7-2-4-9-15(13)21-18;/h2-5,7-10,23H,6,11-12H2,1H3,(H,20,21);1H.
What are the key properties of 3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide?
3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide has a molecular weight of 433.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)amino]propan-1-ol iodide is sourced from PubChem (CID 25132229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).