actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one

C12H13AcNO2 — CID 21360695

IUPACactinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one
SMILESCc1cc(CO)c2[nH]cc(C)c(=O)c2c1.[Ac]
InChIInChI=1S/C12H13NO2.Ac/c1-7-3-9(6-14)11-10(4-7)12(15)8(2)5-13-11;/h3-5,14H,6H2,1-2H3,(H,13,15);
InChIKeyNVKIJTKTCLANGH-UHFFFAOYSA-N
MW430.24 g/mol
LogP1.64
Rot. Bonds1

About actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one

actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one (PubChem CID 21360695) has the molecular formula C12H13AcNO2 and a molecular weight of 430.24 g/mol. Its IUPAC name is actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Nameactinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one
PubChem CID21360695
Molecular FormulaC12H13AcNO2
Molecular Weight430.24 g/mol
Exact Mass430.12
IUPAC Nameactinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one
SMILESCc1cc(CO)c2[nH]cc(C)c(=O)c2c1.[Ac]
InChIInChI=1S/C12H13NO2.Ac/c1-7-3-9(6-14)11-10(4-7)12(15)8(2)5-13-11;/h3-5,14H,6H2,1-2H3,(H,13,15);
InChIKeyNVKIJTKTCLANGH-UHFFFAOYSA-N
XLogP1.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one?
The IUPAC name of actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one (CID 21360695) is actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one?
The canonical SMILES for actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one is Cc1cc(CO)c2[nH]cc(C)c(=O)c2c1.[Ac].
What is the InChIKey of actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one?
The InChIKey is NVKIJTKTCLANGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.Ac/c1-7-3-9(6-14)11-10(4-7)12(15)8(2)5-13-11;/h3-5,14H,6H2,1-2H3,(H,13,15);.
What are the key properties of actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one?
actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one has a molecular weight of 430.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 21360695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).