ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate

C21H15N3O4 — CID 15441886

IUPACethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)nn2c1nc(=O)c1ccccc12
InChIInChI=1S/C21H15N3O4/c1-2-28-21(27)15-12-16(18(25)13-8-4-3-5-9-13)23-24-17-11-7-6-10-14(17)20(26)22-19(15)24/h3-12H,2H2,1H3
InChIKeyOMZQUMQSQXIVCQ-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.65
Rot. Bonds4

About ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate

ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate (PubChem CID 15441886) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate
PubChem CID15441886
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Nameethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)nn2c1nc(=O)c1ccccc12
InChIInChI=1S/C21H15N3O4/c1-2-28-21(27)15-12-16(18(25)13-8-4-3-5-9-13)23-24-17-11-7-6-10-14(17)20(26)22-19(15)24/h3-12H,2H2,1H3
InChIKeyOMZQUMQSQXIVCQ-UHFFFAOYSA-N
XLogP2.65
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate?
The IUPAC name of ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate (CID 15441886) is ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate.
What is the SMILES notation for ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate?
The canonical SMILES for ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2)nn2c1nc(=O)c1ccccc12.
What is the InChIKey of ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate?
The InChIKey is OMZQUMQSQXIVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c1-2-28-21(27)15-12-16(18(25)13-8-4-3-5-9-13)23-24-17-11-7-6-10-14(17)20(26)22-19(15)24/h3-12H,2H2,1H3.
What are the key properties of ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate?
ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate has a molecular weight of 373.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate is sourced from PubChem (CID 15441886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).