N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C23H20BrN5O3 — CID 135894651

About N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 135894651) has the molecular formula C23H20BrN5O3 and a molecular weight of 494.35 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 135894651
• Molecular Formula: C23H20BrN5O3
• Molecular Weight: 494.35 g/mol
• Exact Mass: 493.07
• IUPAC Name: N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: C=CCn1c(O)c(/N=N/C(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2cc(Br)ccc21
• InChI: InChI=1S/C23H20BrN5O3/c1-4-10-29-18-9-7-14(24)11-16(18)19(23(29)32)26-27-22(31)17-12-28(5-2)21-15(20(17)30)8-6-13(3)25-21/h4,6-9,11-12,32H,1,5,10H2,2-3H3/b27-26+
• InChIKey: OWCAGPXGLULDKS-CYYJNZCTSA-N
• XLogP: 5.26
• TPSA: 101.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.35
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 135894651) is N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is C=CCn1c(O)c(/N=N/C(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2cc(Br)ccc21.

What is the InChIKey of N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is OWCAGPXGLULDKS-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H20BrN5O3/c1-4-10-29-18-9-7-14(24)11-16(18)19(23(29)32)26-27-22(31)17-12-28(5-2)21-15(20(17)30)8-6-13(3)25-21/h4,6-9,11-12,32H,1,5,10H2,2-3H3/b27-26+.

What are the key properties of N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 494.35 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135894651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).