methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate

C19H16FN3O4 — CID 10384451

IUPACmethyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1nc(NC(C)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C19H16FN3O4/c1-10(24)22-18-14-8-12(7-11-3-5-13(20)6-4-11)9-21-15(14)17(25)16(23-18)19(26)27-2/h3-6,8-9,25H,7H2,1-2H3,(H,22,23,24)
InChIKeyCJWSLOKRJDMOMS-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.81
Rot. Bonds4

About methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate

methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate (PubChem CID 10384451) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
PubChem CID10384451
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Namemethyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1nc(NC(C)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C19H16FN3O4/c1-10(24)22-18-14-8-12(7-11-3-5-13(20)6-4-11)9-21-15(14)17(25)16(23-18)19(26)27-2/h3-6,8-9,25H,7H2,1-2H3,(H,22,23,24)
InChIKeyCJWSLOKRJDMOMS-UHFFFAOYSA-N
XLogP2.81
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxylate
CID 59696516
methyl 2-[[3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]-1,6-naphthyridine-7-carbonyl]amino]propanoate
CID 23149783
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methoxy-2-oxoacetyl)quinoline-7-carboxylate
CID 68820578
methyl 5-(1,1-dioxothiazinan-2-yl)-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 59696277
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methylaminocarbamoyl)quinoline-7-carboxylate
CID 68822421
dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate
CID 59696253
3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid
CID 67089096
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]quinoline-7-carboxylate
CID 59696459
methyl 5-(dimethylsulfamoylamino)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 59696409
methyl 5-(ethylcarbamoylamino)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 91534837
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)quinoline-7-carboxylate
CID 68821465

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate (CID 10384451) is methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate is COC(=O)c1nc(NC(C)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The InChIKey is CJWSLOKRJDMOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-10(24)22-18-14-8-12(7-11-3-5-13(20)6-4-11)9-21-15(14)17(25)16(23-18)19(26)27-2/h3-6,8-9,25H,7H2,1-2H3,(H,22,23,24).
What are the key properties of methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate has a molecular weight of 369.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 10384451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).