6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one

C15H15N3O4 — CID 45118210

IUPAC6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one
SMILESCOc1cc2c(=O)n3nc(C)ccc3nc2c(OC)c1OC
InChIInChI=1S/C15H15N3O4/c1-8-5-6-11-16-12-9(15(19)18(11)17-8)7-10(20-2)13(21-3)14(12)22-4/h5-7H,1-4H3
InChIKeyMKBXQXFSQRJDOZ-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.58
Rot. Bonds3

About 6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one

6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one (PubChem CID 45118210) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one.

Molecular Properties

Compound Name6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one
PubChem CID45118210
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one
SMILESCOc1cc2c(=O)n3nc(C)ccc3nc2c(OC)c1OC
InChIInChI=1S/C15H15N3O4/c1-8-5-6-11-16-12-9(15(19)18(11)17-8)7-10(20-2)13(21-3)14(12)22-4/h5-7H,1-4H3
InChIKeyMKBXQXFSQRJDOZ-UHFFFAOYSA-N
XLogP1.58
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one?
The IUPAC name of 6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one (CID 45118210) is 6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one.
What is the SMILES notation for 6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one?
The canonical SMILES for 6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one is COc1cc2c(=O)n3nc(C)ccc3nc2c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one?
The InChIKey is MKBXQXFSQRJDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-8-5-6-11-16-12-9(15(19)18(11)17-8)7-10(20-2)13(21-3)14(12)22-4/h5-7H,1-4H3.
What are the key properties of 6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one?
6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one has a molecular weight of 301.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-2-methylpyridazino[6,1-b]quinazolin-10-one is sourced from PubChem (CID 45118210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).