4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one

C16H16N2O3 — CID 71919825

IUPAC4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one
SMILESCc1ccc2c(c1)OCCN2C(=O)c1c[nH]c(=O)cc1C
InChIInChI=1S/C16H16N2O3/c1-10-3-4-13-14(7-10)21-6-5-18(13)16(20)12-9-17-15(19)8-11(12)2/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)
InChIKeyHOCYDAZTGNKBKI-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.03
Rot. Bonds1

About 4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one

4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one (PubChem CID 71919825) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one
PubChem CID71919825
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one
SMILESCc1ccc2c(c1)OCCN2C(=O)c1c[nH]c(=O)cc1C
InChIInChI=1S/C16H16N2O3/c1-10-3-4-13-14(7-10)21-6-5-18(13)16(20)12-9-17-15(19)8-11(12)2/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)
InChIKeyHOCYDAZTGNKBKI-UHFFFAOYSA-N
XLogP2.03
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one (CID 71919825) is 4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one is Cc1ccc2c(c1)OCCN2C(=O)c1c[nH]c(=O)cc1C.
What is the InChIKey of 4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one?
The InChIKey is HOCYDAZTGNKBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-3-4-13-14(7-10)21-6-5-18(13)16(20)12-9-17-15(19)8-11(12)2/h3-4,7-9H,5-6H2,1-2H3,(H,17,19).
What are the key properties of 4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one?
4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(7-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 71919825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).