1,3,8-trimethylquinolizin-4-one

C12H13NO — CID 140746822

IUPAC1,3,8-trimethylquinolizin-4-one
SMILESCc1ccn2c(=O)c(C)cc(C)c2c1
InChIInChI=1S/C12H13NO/c1-8-4-5-13-11(6-8)9(2)7-10(3)12(13)14/h4-7H,1-3H3
InChIKeyNOTGDHCITLNFPL-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.22
Rot. Bonds

About 1,3,8-trimethylquinolizin-4-one

1,3,8-trimethylquinolizin-4-one (PubChem CID 140746822) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1,3,8-trimethylquinolizin-4-one.

Molecular Properties

Compound Name1,3,8-trimethylquinolizin-4-one
PubChem CID140746822
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1,3,8-trimethylquinolizin-4-one
SMILESCc1ccn2c(=O)c(C)cc(C)c2c1
InChIInChI=1S/C12H13NO/c1-8-4-5-13-11(6-8)9(2)7-10(3)12(13)14/h4-7H,1-3H3
InChIKeyNOTGDHCITLNFPL-UHFFFAOYSA-N
XLogP2.22
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-trimethylquinolizin-4-one?
The IUPAC name of 1,3,8-trimethylquinolizin-4-one (CID 140746822) is 1,3,8-trimethylquinolizin-4-one.
What is the SMILES notation for 1,3,8-trimethylquinolizin-4-one?
The canonical SMILES for 1,3,8-trimethylquinolizin-4-one is Cc1ccn2c(=O)c(C)cc(C)c2c1.
What is the InChIKey of 1,3,8-trimethylquinolizin-4-one?
The InChIKey is NOTGDHCITLNFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-4-5-13-11(6-8)9(2)7-10(3)12(13)14/h4-7H,1-3H3.
What are the key properties of 1,3,8-trimethylquinolizin-4-one?
1,3,8-trimethylquinolizin-4-one has a molecular weight of 187.24 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethylquinolizin-4-one is sourced from PubChem (CID 140746822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).