2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione

C17H11N3O2 — CID 825043

IUPAC2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione
SMILESO=c1cc2[nH]c3ccccc3c(=O)n2nc1-c1ccccc1
InChIInChI=1S/C17H11N3O2/c21-14-10-15-18-13-9-5-4-8-12(13)17(22)20(15)19-16(14)11-6-2-1-3-7-11/h1-10,18H
InChIKeyPCVNWCDIDWTFCY-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.20
Rot. Bonds1

About 2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione

2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione (PubChem CID 825043) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione.

Molecular Properties

Compound Name2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione
PubChem CID825043
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione
SMILESO=c1cc2[nH]c3ccccc3c(=O)n2nc1-c1ccccc1
InChIInChI=1S/C17H11N3O2/c21-14-10-15-18-13-9-5-4-8-12(13)17(22)20(15)19-16(14)11-6-2-1-3-7-11/h1-10,18H
InChIKeyPCVNWCDIDWTFCY-UHFFFAOYSA-N
XLogP2.20
TPSA67.23 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 ≤ 52.20
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 2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione?
The IUPAC name of 2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione (CID 825043) is 2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione.
What is the SMILES notation for 2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione?
The canonical SMILES for 2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione is O=c1cc2[nH]c3ccccc3c(=O)n2nc1-c1ccccc1.
What is the InChIKey of 2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione?
The InChIKey is PCVNWCDIDWTFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-14-10-15-18-13-9-5-4-8-12(13)17(22)20(15)19-16(14)11-6-2-1-3-7-11/h1-10,18H.
What are the key properties of 2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione?
2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione has a molecular weight of 289.29 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5H-pyridazino[6,1-b]quinazoline-3,10-dione is sourced from PubChem (CID 825043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).