1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

C25H24N6O2 — CID 166613247

About 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 166613247) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
• PubChem CID: 166613247
• Molecular Formula: C25H24N6O2
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.20
• IUPAC Name: 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
• SMILES: COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCCc4ccccn4)c3C)nc1-2
• InChI: InChI=1S/C25H24N6O2/c1-16-22(24(32)27-12-10-19-5-3-4-11-26-19)15-29-31(16)25-28-14-18-7-6-17-13-20(33-2)8-9-21(17)23(18)30-25/h3-5,8-9,11,13-15H,6-7,10,12H2,1-2H3,(H,27,32)
• InChIKey: OLSIOLDAUKXYIJ-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?

The IUPAC name of 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 166613247) is 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCCc4ccccn4)c3C)nc1-2.

What is the InChIKey of 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?

The InChIKey is OLSIOLDAUKXYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16-22(24(32)27-12-10-19-5-3-4-11-26-19)15-29-31(16)25-28-14-18-7-6-17-13-20(33-2)8-9-21(17)23(18)30-25/h3-5,8-9,11,13-15H,6-7,10,12H2,1-2H3,(H,27,32).

What are the key properties of 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?

1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166613247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).