1-methylquinolin-5-one

C10H9NO — CID 23423829

IUPAC1-methylquinolin-5-one
SMILESCn1cccc2c(=O)cccc1-2
InChIInChI=1S/C10H9NO/c1-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7H,1H3
InChIKeyGBBVCUHEJCSCQA-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.49
Rot. Bonds

About 1-methylquinolin-5-one

1-methylquinolin-5-one (PubChem CID 23423829) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-methylquinolin-5-one.

Molecular Properties

Compound Name1-methylquinolin-5-one
PubChem CID23423829
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-methylquinolin-5-one
SMILESCn1cccc2c(=O)cccc1-2
InChIInChI=1S/C10H9NO/c1-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7H,1H3
InChIKeyGBBVCUHEJCSCQA-UHFFFAOYSA-N
XLogP1.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylquinolin-5-one?
The IUPAC name of 1-methylquinolin-5-one (CID 23423829) is 1-methylquinolin-5-one.
What is the SMILES notation for 1-methylquinolin-5-one?
The canonical SMILES for 1-methylquinolin-5-one is Cn1cccc2c(=O)cccc1-2.
What is the InChIKey of 1-methylquinolin-5-one?
The InChIKey is GBBVCUHEJCSCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7H,1H3.
What are the key properties of 1-methylquinolin-5-one?
1-methylquinolin-5-one has a molecular weight of 159.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinolin-5-one is sourced from PubChem (CID 23423829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).