2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione

C17H13N3O3 — CID 169171334

IUPAC2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
SMILESCc1nc2cc3c(cc2c(=O)[nH]1)N(c1ccccc1)C(=O)CO3
InChIInChI=1S/C17H13N3O3/c1-10-18-13-8-15-14(7-12(13)17(22)19-10)20(16(21)9-23-15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19,22)
InChIKeyIIMIHQTVKSTHCV-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.29
Rot. Bonds1

About 2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione

2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione (PubChem CID 169171334) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione.

Molecular Properties

Compound Name2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
PubChem CID169171334
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
SMILESCc1nc2cc3c(cc2c(=O)[nH]1)N(c1ccccc1)C(=O)CO3
InChIInChI=1S/C17H13N3O3/c1-10-18-13-8-15-14(7-12(13)17(22)19-10)20(16(21)9-23-15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19,22)
InChIKeyIIMIHQTVKSTHCV-UHFFFAOYSA-N
XLogP2.29
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The IUPAC name of 2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione (CID 169171334) is 2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione.
What is the SMILES notation for 2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The canonical SMILES for 2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione is Cc1nc2cc3c(cc2c(=O)[nH]1)N(c1ccccc1)C(=O)CO3.
What is the InChIKey of 2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The InChIKey is IIMIHQTVKSTHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-10-18-13-8-15-14(7-12(13)17(22)19-10)20(16(21)9-23-15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19,22).
What are the key properties of 2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione has a molecular weight of 307.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione is sourced from PubChem (CID 169171334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).