N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide

C23H29N5O5 — CID 167928948

About N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide

N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide (PubChem CID 167928948) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
• PubChem CID: 167928948
• Molecular Formula: C23H29N5O5
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.22
• IUPAC Name: N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
• SMILES: CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn(C2CCOCC2)c1C
• InChI: InChI=1S/C23H29N5O5/c1-5-27(23(30)17-12-24-28(14(17)2)15-6-8-33-9-7-15)13-21-25-18-11-20(32-4)19(31-3)10-16(18)22(29)26-21/h10-12,15H,5-9,13H2,1-4H3,(H,25,26,29)
• InChIKey: UCHJLYITUIIGOY-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 111.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?

The IUPAC name of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide (CID 167928948) is N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?

The canonical SMILES for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn(C2CCOCC2)c1C.

What is the InChIKey of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?

The InChIKey is UCHJLYITUIIGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-5-27(23(30)17-12-24-28(14(17)2)15-6-8-33-9-7-15)13-21-25-18-11-20(32-4)19(31-3)10-16(18)22(29)26-21/h10-12,15H,5-9,13H2,1-4H3,(H,25,26,29).

What are the key properties of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?

N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 167928948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).