6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide

C28H28ClFN4O7S — CID 54706413

About 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide

6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (PubChem CID 54706413) has the molecular formula C28H28ClFN4O7S and a molecular weight of 619.07 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
• PubChem CID: 54706413
• Molecular Formula: C28H28ClFN4O7S
• Molecular Weight: 619.07 g/mol
• Exact Mass: 618.14
• IUPAC Name: 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
• SMILES: CN(C)C(=O)c1c2c(c(O)c(=O)n1-c1ccc(S(=O)(=O)N3CCOCC3)cc1)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2
• InChI: InChI=1S/C28H28ClFN4O7S/c1-31(2)27(37)24-20-9-10-32(16-17-3-8-22(30)21(29)15-17)26(36)23(20)25(35)28(38)34(24)18-4-6-19(7-5-18)42(39,40)33-11-13-41-14-12-33/h3-8,15,35H,9-14,16H2,1-2H3
• InChIKey: VBADNZSNVMMORL-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 129.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.07
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?

The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (CID 54706413) is 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?

The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is CN(C)C(=O)c1c2c(c(O)c(=O)n1-c1ccc(S(=O)(=O)N3CCOCC3)cc1)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2.

What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?

The InChIKey is VBADNZSNVMMORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN4O7S/c1-31(2)27(37)24-20-9-10-32(16-17-3-8-22(30)21(29)15-17)26(36)23(20)25(35)28(38)34(24)18-4-6-19(7-5-18)42(39,40)33-11-13-41-14-12-33/h3-8,15,35H,9-14,16H2,1-2H3.

What are the key properties of 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?

6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide has a molecular weight of 619.07 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54706413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).