1-methylquinolin-4-one

C10H9NO — CID 6748

IUPAC1-methylquinolin-4-one
SMILESCn1ccc(=O)c2ccccc21
InChIInChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKeyCSJAXRKDCCWCSJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.54
Rot. Bonds

About 1-methylquinolin-4-one

1-methylquinolin-4-one (PubChem CID 6748) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-methylquinolin-4-one.

Molecular Properties

Compound Name1-methylquinolin-4-one
PubChem CID6748
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-methylquinolin-4-one
SMILESCn1ccc(=O)c2ccccc21
InChIInChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKeyCSJAXRKDCCWCSJ-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylquinolin-4-one?
The IUPAC name of 1-methylquinolin-4-one (CID 6748) is 1-methylquinolin-4-one.
What is the SMILES notation for 1-methylquinolin-4-one?
The canonical SMILES for 1-methylquinolin-4-one is Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 1-methylquinolin-4-one?
The InChIKey is CSJAXRKDCCWCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3.
What are the key properties of 1-methylquinolin-4-one?
1-methylquinolin-4-one has a molecular weight of 159.19 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinolin-4-one is sourced from PubChem (CID 6748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).