7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one

C15H12N2O3 — CID 126572990

IUPAC7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one
SMILESCc1cc(-c2ccc3ncc(=O)oc3c2)cn(C)c1=O
InChIInChI=1S/C15H12N2O3/c1-9-5-11(8-17(2)15(9)19)10-3-4-12-13(6-10)20-14(18)7-16-12/h3-8H,1-2H3
InChIKeyNLHHYPGPSFFMTC-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.86
Rot. Bonds1

About 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one

7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one (PubChem CID 126572990) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one
PubChem CID126572990
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one
SMILESCc1cc(-c2ccc3ncc(=O)oc3c2)cn(C)c1=O
InChIInChI=1S/C15H12N2O3/c1-9-5-11(8-17(2)15(9)19)10-3-4-12-13(6-10)20-14(18)7-16-12/h3-8H,1-2H3
InChIKeyNLHHYPGPSFFMTC-UHFFFAOYSA-N
XLogP1.86
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
CID 126582767
5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065
5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258642
5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134258609
6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane
CID 145297524
1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one
CID 134247808
5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258559
1,4-benzoxazin-2-one;hydrochloride
CID 154928875
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide;molecular hydrogen
CID 145297525
1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582741
1,3-dimethyl-5-[3-(N-methylanilino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070909

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one?
The IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one (CID 126572990) is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one.
What is the SMILES notation for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one?
The canonical SMILES for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one is Cc1cc(-c2ccc3ncc(=O)oc3c2)cn(C)c1=O.
What is the InChIKey of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one?
The InChIKey is NLHHYPGPSFFMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-5-11(8-17(2)15(9)19)10-3-4-12-13(6-10)20-14(18)7-16-12/h3-8H,1-2H3.
What are the key properties of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one?
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one has a molecular weight of 268.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one is sourced from PubChem (CID 126572990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).