methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate

C23H23FN4O6 — CID 23149783

IUPACmethyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate
SMILESCOCC(=O)Nc1nc(C(=O)NC(C)C(=O)OC)c(O)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C23H23FN4O6/c1-12(23(32)34-3)26-22(31)19-20(30)18-16(21(28-19)27-17(29)11-33-2)9-14(10-25-18)8-13-4-6-15(24)7-5-13/h4-7,9-10,12,30H,8,11H2,1-3H3,(H,26,31)(H,27,28,29)
InChIKeyWENCGTGICHQHFU-UHFFFAOYSA-N
MW470.46 g/mol
LogP1.94
Rot. Bonds8

About methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate

methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate (PubChem CID 23149783) has the molecular formula C23H23FN4O6 and a molecular weight of 470.46 g/mol. Its IUPAC name is methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate
PubChem CID23149783
Molecular FormulaC23H23FN4O6
Molecular Weight470.46 g/mol
Exact Mass470.16
IUPAC Namemethyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate
SMILESCOCC(=O)Nc1nc(C(=O)NC(C)C(=O)OC)c(O)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C23H23FN4O6/c1-12(23(32)34-3)26-22(31)19-20(30)18-16(21(28-19)27-17(29)11-33-2)9-14(10-25-18)8-13-4-6-15(24)7-5-13/h4-7,9-10,12,30H,8,11H2,1-3H3,(H,26,31)(H,27,28,29)
InChIKeyWENCGTGICHQHFU-UHFFFAOYSA-N
XLogP1.94
TPSA139.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10384451
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxoethylcarbamoylamino)-1,6-naphthyridine-7-carboxylate
CID 89278671
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]quinoline-7-carboxylate
CID 59696459
3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid
CID 67089096
3-[(4-fluorophenyl)methyl]-8-hydroxy-7-(2-methoxyethoxycarbonyl)quinoline-5-carboxylic acid
CID 68820294
3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide
CID 59696515
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxylate
CID 59696516
3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-N',N'-dimethyl-1,6-naphthyridine-7-carbohydrazide
CID 59696395
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methylaminocarbamoyl)quinoline-7-carboxylate
CID 68822421
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-phenoxyacetyl)amino]quinoline-7-carboxylate
CID 68820572
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methoxy-2-oxoacetyl)quinoline-7-carboxylate
CID 68820578
methyl 5-[(2-amino-2-oxoethyl)carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(formamidocarbamoyl)-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]quinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]quinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-propan-2-yloxyethylcarbamoyl)quinoline-7-carboxylate
CID 157113423

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate (CID 23149783) is methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate is COCC(=O)Nc1nc(C(=O)NC(C)C(=O)OC)c(O)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate?
The InChIKey is WENCGTGICHQHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O6/c1-12(23(32)34-3)26-22(31)19-20(30)18-16(21(28-19)27-17(29)11-33-2)9-14(10-25-18)8-13-4-6-15(24)7-5-13/h4-7,9-10,12,30H,8,11H2,1-3H3,(H,26,31)(H,27,28,29).
What are the key properties of methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate?
methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate has a molecular weight of 470.46 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate is sourced from PubChem (CID 23149783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).