5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide

C20H22N4O4S — CID 87054064

About 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide

5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide (PubChem CID 87054064) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
• PubChem CID: 87054064
• Molecular Formula: C20H22N4O4S
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.14
• IUPAC Name: 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
• SMILES: CN1c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2C(=O)N2CCCCC21
• InChI: InChI=1S/C20H22N4O4S/c1-23-17-12-13(5-10-16(17)20(26)24-11-3-2-4-18(23)24)19(25)22-14-6-8-15(9-7-14)29(21,27)28/h5-10,12,18H,2-4,11H2,1H3,(H,22,25)(H2,21,27,28)
• InChIKey: QVEQYJDBIRWUSV-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 112.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?

The IUPAC name of 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide (CID 87054064) is 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide.

What is the SMILES notation for 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?

The canonical SMILES for 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide is CN1c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2C(=O)N2CCCCC21.

What is the InChIKey of 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?

The InChIKey is QVEQYJDBIRWUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-23-17-12-13(5-10-16(17)20(26)24-11-3-2-4-18(23)24)19(25)22-14-6-8-15(9-7-14)29(21,27)28/h5-10,12,18H,2-4,11H2,1H3,(H,22,25)(H2,21,27,28).

What are the key properties of 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?

5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-11-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 87054064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).