2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one

C19H16N4O — CID 6623699

IUPAC2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one
SMILESCc1ccc2nc3ccc(NCc4ccccc4)nn3c(=O)c2c1
InChIInChI=1S/C19H16N4O/c1-13-7-8-16-15(11-13)19(24)23-18(21-16)10-9-17(22-23)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,22)
InChIKeyJPTBBFXHINMZOY-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.16
Rot. Bonds3

About 2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one

2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one (PubChem CID 6623699) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one.

Molecular Properties

Compound Name2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one
PubChem CID6623699
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one
SMILESCc1ccc2nc3ccc(NCc4ccccc4)nn3c(=O)c2c1
InChIInChI=1S/C19H16N4O/c1-13-7-8-16-15(11-13)19(24)23-18(21-16)10-9-17(22-23)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,22)
InChIKeyJPTBBFXHINMZOY-UHFFFAOYSA-N
XLogP3.16
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one?
The IUPAC name of 2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one (CID 6623699) is 2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one.
What is the SMILES notation for 2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one?
The canonical SMILES for 2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one is Cc1ccc2nc3ccc(NCc4ccccc4)nn3c(=O)c2c1.
What is the InChIKey of 2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one?
The InChIKey is JPTBBFXHINMZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-7-8-16-15(11-13)19(24)23-18(21-16)10-9-17(22-23)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,22).
What are the key properties of 2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one?
2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one has a molecular weight of 316.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one is sourced from PubChem (CID 6623699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).