3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione

C16H13NO3 — CID 2784777

IUPAC3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione
SMILESCN1C(=O)C(O)(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C16H13NO3/c1-17-13-10-6-5-9-12(13)14(18)16(20,15(17)19)11-7-3-2-4-8-11/h2-10,20H,1H3
InChIKeyHNZCOBZJMGJBRW-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.73
Rot. Bonds1

About 3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione

3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione (PubChem CID 2784777) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione
PubChem CID2784777
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione
SMILESCN1C(=O)C(O)(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C16H13NO3/c1-17-13-10-6-5-9-12(13)14(18)16(20,15(17)19)11-7-3-2-4-8-11/h2-10,20H,1H3
InChIKeyHNZCOBZJMGJBRW-UHFFFAOYSA-N
XLogP1.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1,3-diphenylquinoline-2,4-dione
CID 2784001
3-ethyl-3-hydroxy-1-methylquinoline-2,4-dione
CID 2785100
1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione
CID 57381396
(3R)-3-butyl-3-hydroxy-1-methylquinoline-2,4-dione
CID 7067612
3-heptyl-3-hydroxy-1-methylquinoline-2,4-dione
CID 2794541
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one
CID 102166868
3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 44603962
1,3-dimethyl-3-(2,2,2-trifluoroethyl)quinoline-2,4-dione
CID 132534451
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1-methoxy-2,2-diphenylindol-3-one
CID 12809019
(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one
CID 102008054

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione?
The IUPAC name of 3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione (CID 2784777) is 3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione.
What is the SMILES notation for 3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione?
The canonical SMILES for 3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione is CN1C(=O)C(O)(c2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione?
The InChIKey is HNZCOBZJMGJBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-17-13-10-6-5-9-12(13)14(18)16(20,15(17)19)11-7-3-2-4-8-11/h2-10,20H,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione?
3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione is sourced from PubChem (CID 2784777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).