1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride

C18H15ClN2O — CID 171375281

IUPAC1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride
SMILESCC(=O)c1cn2ccc3c4ccccc4nc-3c2cc1C.Cl
InChIInChI=1S/C18H14N2O.ClH/c1-11-9-17-18-14(13-5-3-4-6-16(13)19-18)7-8-20(17)10-15(11)12(2)21;/h3-10H,1-2H3;1H
InChIKeyZNSCHNRWSIJUQF-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.53
Rot. Bonds1

About 1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride

1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride (PubChem CID 171375281) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride
PubChem CID171375281
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride
SMILESCC(=O)c1cn2ccc3c4ccccc4nc-3c2cc1C.Cl
InChIInChI=1S/C18H14N2O.ClH/c1-11-9-17-18-14(13-5-3-4-6-16(13)19-18)7-8-20(17)10-15(11)12(2)21;/h3-10H,1-2H3;1H
InChIKeyZNSCHNRWSIJUQF-UHFFFAOYSA-N
XLogP4.53
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride (CID 171375281) is 1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride is CC(=O)c1cn2ccc3c4ccccc4nc-3c2cc1C.Cl.
What is the InChIKey of 1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride?
The InChIKey is ZNSCHNRWSIJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O.ClH/c1-11-9-17-18-14(13-5-3-4-6-16(13)19-18)7-8-20(17)10-15(11)12(2)21;/h3-10H,1-2H3;1H.
What are the key properties of 1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride?
1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride has a molecular weight of 310.78 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 171375281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).