1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide

C24H25N5O3 — CID 135962290

About 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide

1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 135962290) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
• PubChem CID: 135962290
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
• SMILES: Cc1cccc(N2N=C(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)CCC2=O)c1
• InChI: InChI=1S/C24H25N5O3/c1-15(2)28(14-21-25-19-10-5-4-9-18(19)23(31)26-21)24(32)20-11-12-22(30)29(27-20)17-8-6-7-16(3)13-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,25,26,31)
• InChIKey: BMUWEPLBYXSCAZ-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?

The IUPAC name of 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide (CID 135962290) is 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide.

What is the SMILES notation for 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?

The canonical SMILES for 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(N2N=C(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)CCC2=O)c1.

What is the InChIKey of 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?

The InChIKey is BMUWEPLBYXSCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15(2)28(14-21-25-19-10-5-4-9-18(19)23(31)26-21)24(32)20-11-12-22(30)29(27-20)17-8-6-7-16(3)13-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,25,26,31).

What are the key properties of 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?

1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 135962290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).