1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C21H18IN5O3 — CID 11511882

About 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 11511882) has the molecular formula C21H18IN5O3 and a molecular weight of 515.31 g/mol. Its IUPAC name is 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 11511882
• Molecular Formula: C21H18IN5O3
• Molecular Weight: 515.31 g/mol
• Exact Mass: 515.05
• IUPAC Name: 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CCn1cc(C(=O)Nn2c(C)nc3ccc(I)cc3c2=O)c(=O)c2ccc(C)nc21
• InChI: InChI=1S/C21H18IN5O3/c1-4-26-10-16(18(28)14-7-5-11(2)23-19(14)26)20(29)25-27-12(3)24-17-8-6-13(22)9-15(17)21(27)30/h5-10H,4H2,1-3H3,(H,25,29)
• InChIKey: QBWYOFHBVNGEQV-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 98.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.31
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 11511882) is 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nn2c(C)nc3ccc(I)cc3c2=O)c(=O)c2ccc(C)nc21.

What is the InChIKey of 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is QBWYOFHBVNGEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18IN5O3/c1-4-26-10-16(18(28)14-7-5-11(2)23-19(14)26)20(29)25-27-12(3)24-17-8-6-13(22)9-15(17)21(27)30/h5-10H,4H2,1-3H3,(H,25,29).

What are the key properties of 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 515.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 11511882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).