N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide

C21H23N7O6 — CID 162346605

About N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide

N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide (PubChem CID 162346605) has the molecular formula C21H23N7O6 and a molecular weight of 469.46 g/mol. Its IUPAC name is N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
• PubChem CID: 162346605
• Molecular Formula: C21H23N7O6
• Molecular Weight: 469.46 g/mol
• Exact Mass: 469.17
• IUPAC Name: N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
• SMILES: COc1c(OCC(=O)N2CCOCC2)cc(N)c2c(=O)n(C)c(NC(=O)c3cncnc3)nc12
• InChI: InChI=1S/C21H23N7O6/c1-27-20(31)16-13(22)7-14(34-10-15(29)28-3-5-33-6-4-28)18(32-2)17(16)25-21(27)26-19(30)12-8-23-11-24-9-12/h7-9,11H,3-6,10,22H2,1-2H3,(H,25,26,30)
• InChIKey: BWHYJFACWFABIH-UHFFFAOYSA-N
• XLogP: -0.20
• TPSA: 163.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.46
LogP ≤ 5	-0.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide (CID 162346605) is N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide is COc1c(OCC(=O)N2CCOCC2)cc(N)c2c(=O)n(C)c(NC(=O)c3cncnc3)nc12.

What is the InChIKey of N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?

The InChIKey is BWHYJFACWFABIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O6/c1-27-20(31)16-13(22)7-14(34-10-15(29)28-3-5-33-6-4-28)18(32-2)17(16)25-21(27)26-19(30)12-8-23-11-24-9-12/h7-9,11H,3-6,10,22H2,1-2H3,(H,25,26,30).

What are the key properties of N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?

N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 469.46 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-amino-8-methoxy-3-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 162346605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).