5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione

C17H13N3O2 — CID 73352063

IUPAC5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)C(c1ccccc1)c1ccccc1N2
InChIInChI=1S/C17H13N3O2/c21-16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-15(14)19-17(22)20-16/h1-9,13H,(H3,18,19,20,21,22)
InChIKeyZBMMVPYOYIIPSG-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.30
Rot. Bonds1

About 5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione

5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 73352063) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione
PubChem CID73352063
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)C(c1ccccc1)c1ccccc1N2
InChIInChI=1S/C17H13N3O2/c21-16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-15(14)19-17(22)20-16/h1-9,13H,(H3,18,19,20,21,22)
InChIKeyZBMMVPYOYIIPSG-UHFFFAOYSA-N
XLogP2.30
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione (CID 73352063) is 5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)C(c1ccccc1)c1ccccc1N2.
What is the InChIKey of 5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is ZBMMVPYOYIIPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-15(14)19-17(22)20-16/h1-9,13H,(H3,18,19,20,21,22).
What are the key properties of 5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione?
5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 291.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 73352063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).