10-phenylpyrimido[4,5-b]quinoline-2,4-dione

C17H11N3O2 — CID 951368

IUPAC10-phenylpyrimido[4,5-b]quinoline-2,4-dione
SMILESO=c1nc2n(-c3ccccc3)c3ccccc3cc-2c(=O)[nH]1
InChIInChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
InChIKeyBBWFTVFLVHVBCD-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.18
Rot. Bonds1

About 10-phenylpyrimido[4,5-b]quinoline-2,4-dione

10-phenylpyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 951368) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 10-phenylpyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name10-phenylpyrimido[4,5-b]quinoline-2,4-dione
PubChem CID951368
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name10-phenylpyrimido[4,5-b]quinoline-2,4-dione
SMILESO=c1nc2n(-c3ccccc3)c3ccccc3cc-2c(=O)[nH]1
InChIInChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
InChIKeyBBWFTVFLVHVBCD-UHFFFAOYSA-N
XLogP2.18
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-phenylpyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 10-phenylpyrimido[4,5-b]quinoline-2,4-dione (CID 951368) is 10-phenylpyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 10-phenylpyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 10-phenylpyrimido[4,5-b]quinoline-2,4-dione is O=c1nc2n(-c3ccccc3)c3ccccc3cc-2c(=O)[nH]1.
What is the InChIKey of 10-phenylpyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is BBWFTVFLVHVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22).
What are the key properties of 10-phenylpyrimido[4,5-b]quinoline-2,4-dione?
10-phenylpyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 289.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylpyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 951368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).