1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride

C18H15ClN2O — CID 10335598

IUPAC1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride
SMILESCC(=O)n1c2ccccc2c2c1cc1ccccc1[n+]2C.[Cl-]
InChIInChI=1S/C18H15N2O.ClH/c1-12(21)20-16-10-6-4-8-14(16)18-17(20)11-13-7-3-5-9-15(13)19(18)2;/h3-11H,1-2H3;1H/q+1;/p-1
InChIKeyRBTWRUSWHCTAMJ-UHFFFAOYSA-M
MW310.78 g/mol
LogP0.44
Rot. Bonds

About 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride

1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride (PubChem CID 10335598) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride.

Molecular Properties

Compound Name1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride
PubChem CID10335598
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride
SMILESCC(=O)n1c2ccccc2c2c1cc1ccccc1[n+]2C.[Cl-]
InChIInChI=1S/C18H15N2O.ClH/c1-12(21)20-16-10-6-4-8-14(16)18-17(20)11-13-7-3-5-9-15(13)19(18)2;/h3-11H,1-2H3;1H/q+1;/p-1
InChIKeyRBTWRUSWHCTAMJ-UHFFFAOYSA-M
XLogP0.44
TPSA25.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride?
The IUPAC name of 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride (CID 10335598) is 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride.
What is the SMILES notation for 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride?
The canonical SMILES for 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride is CC(=O)n1c2ccccc2c2c1cc1ccccc1[n+]2C.[Cl-].
What is the InChIKey of 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride?
The InChIKey is RBTWRUSWHCTAMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15N2O.ClH/c1-12(21)20-16-10-6-4-8-14(16)18-17(20)11-13-7-3-5-9-15(13)19(18)2;/h3-11H,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride?
1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride has a molecular weight of 310.78 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone chloride is sourced from PubChem (CID 10335598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).