1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

C26H22ClFN4O4 — CID 110172661

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2ccc(F)cc2Cl)c2ccc(=O)[nH]c2c1=O
InChIInChI=1S/C26H22ClFN4O4/c27-21-13-17(28)2-1-16(21)14-32-15-20(25(34)24-22(32)7-8-23(33)30-24)26(35)29-18-3-5-19(6-4-18)31-9-11-36-12-10-31/h1-8,13,15H,9-12,14H2,(H,29,35)(H,30,33)
InChIKeyAODGHHWEDRULBR-UHFFFAOYSA-N
MW508.94 g/mol
LogP3.62
Rot. Bonds5

About 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 110172661) has the molecular formula C26H22ClFN4O4 and a molecular weight of 508.94 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
PubChem CID110172661
Molecular FormulaC26H22ClFN4O4
Molecular Weight508.94 g/mol
Exact Mass508.13
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2ccc(F)cc2Cl)c2ccc(=O)[nH]c2c1=O
InChIInChI=1S/C26H22ClFN4O4/c27-21-13-17(28)2-1-16(21)14-32-15-20(25(34)24-22(32)7-8-23(33)30-24)26(35)29-18-3-5-19(6-4-18)31-9-11-36-12-10-31/h1-8,13,15H,9-12,14H2,(H,29,35)(H,30,33)
InChIKeyAODGHHWEDRULBR-UHFFFAOYSA-N
XLogP3.62
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.94
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 110172667
N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172665
4-[[1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carbonyl]amino]benzoic acid;hydrobromide
CID 110169212
N-(4-aminophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57390977
N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57399707
1-[(2-fluorophenyl)methyl]-4,6-dioxo-N-(3,4,5-trimethoxyphenyl)-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172650
2-chloro-4-fluoro-N-(4-piperazin-1-ylphenyl)benzamide;2,2,2-trifluoroacetic acid
CID 172895118
2-chloro-4-fluoro-N-[3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 55755168
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
2-chloro-5-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164826

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 110172661) is 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2ccc(F)cc2Cl)c2ccc(=O)[nH]c2c1=O.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is AODGHHWEDRULBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O4/c27-21-13-17(28)2-1-16(21)14-32-15-20(25(34)24-22(32)7-8-23(33)30-24)26(35)29-18-3-5-19(6-4-18)31-9-11-36-12-10-31/h1-8,13,15H,9-12,14H2,(H,29,35)(H,30,33).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 508.94 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 110172661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).