2-methyl-8-phenoxy-1H-quinolin-4-one

C16H13NO2 — CID 43668334

IUPAC2-methyl-8-phenoxy-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(Oc3ccccc3)c2[nH]1
InChIInChI=1S/C16H13NO2/c1-11-10-14(18)13-8-5-9-15(16(13)17-11)19-12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18)
InChIKeyZWSLXKLDPSVRLZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.63
Rot. Bonds2

About 2-methyl-8-phenoxy-1H-quinolin-4-one

2-methyl-8-phenoxy-1H-quinolin-4-one (PubChem CID 43668334) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-8-phenoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-8-phenoxy-1H-quinolin-4-one
PubChem CID43668334
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-methyl-8-phenoxy-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(Oc3ccccc3)c2[nH]1
InChIInChI=1S/C16H13NO2/c1-11-10-14(18)13-8-5-9-15(16(13)17-11)19-12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18)
InChIKeyZWSLXKLDPSVRLZ-UHFFFAOYSA-N
XLogP3.63
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-phenoxy-1H-quinolin-4-one?
The IUPAC name of 2-methyl-8-phenoxy-1H-quinolin-4-one (CID 43668334) is 2-methyl-8-phenoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-8-phenoxy-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-8-phenoxy-1H-quinolin-4-one is Cc1cc(=O)c2cccc(Oc3ccccc3)c2[nH]1.
What is the InChIKey of 2-methyl-8-phenoxy-1H-quinolin-4-one?
The InChIKey is ZWSLXKLDPSVRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-10-14(18)13-8-5-9-15(16(13)17-11)19-12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18).
What are the key properties of 2-methyl-8-phenoxy-1H-quinolin-4-one?
2-methyl-8-phenoxy-1H-quinolin-4-one has a molecular weight of 251.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-phenoxy-1H-quinolin-4-one is sourced from PubChem (CID 43668334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).