1,5-dimethylquinolin-4-one

C11H11NO — CID 138533371

IUPAC1,5-dimethylquinolin-4-one
SMILESCc1cccc2c1c(=O)ccn2C
InChIInChI=1S/C11H11NO/c1-8-4-3-5-9-11(8)10(13)6-7-12(9)2/h3-7H,1-2H3
InChIKeyNNPSZHDSHWCIND-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.85
Rot. Bonds

About 1,5-dimethylquinolin-4-one

1,5-dimethylquinolin-4-one (PubChem CID 138533371) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1,5-dimethylquinolin-4-one.

Molecular Properties

Compound Name1,5-dimethylquinolin-4-one
PubChem CID138533371
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1,5-dimethylquinolin-4-one
SMILESCc1cccc2c1c(=O)ccn2C
InChIInChI=1S/C11H11NO/c1-8-4-3-5-9-11(8)10(13)6-7-12(9)2/h3-7H,1-2H3
InChIKeyNNPSZHDSHWCIND-UHFFFAOYSA-N
XLogP1.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylquinolin-4-one?
The IUPAC name of 1,5-dimethylquinolin-4-one (CID 138533371) is 1,5-dimethylquinolin-4-one.
What is the SMILES notation for 1,5-dimethylquinolin-4-one?
The canonical SMILES for 1,5-dimethylquinolin-4-one is Cc1cccc2c1c(=O)ccn2C.
What is the InChIKey of 1,5-dimethylquinolin-4-one?
The InChIKey is NNPSZHDSHWCIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-4-3-5-9-11(8)10(13)6-7-12(9)2/h3-7H,1-2H3.
What are the key properties of 1,5-dimethylquinolin-4-one?
1,5-dimethylquinolin-4-one has a molecular weight of 173.21 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylquinolin-4-one is sourced from PubChem (CID 138533371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).