dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate

C26H21FN2O5 — CID 59696253

IUPACdimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate
SMILESCOC(=O)c1nc(C(=O)OC)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1
InChIInChI=1S/C26H21FN2O5/c1-32-25(30)22-20-13-18(12-16-8-10-19(27)11-9-16)14-28-21(20)24(23(29-22)26(31)33-2)34-15-17-6-4-3-5-7-17/h3-11,13-14H,12,15H2,1-2H3
InChIKeyMCWQHPDKSCIQJR-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.51
Rot. Bonds7

About dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate

dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate (PubChem CID 59696253) has the molecular formula C26H21FN2O5 and a molecular weight of 460.46 g/mol. Its IUPAC name is dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate
PubChem CID59696253
Molecular FormulaC26H21FN2O5
Molecular Weight460.46 g/mol
Exact Mass460.14
IUPAC Namedimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate
SMILESCOC(=O)c1nc(C(=O)OC)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1
InChIInChI=1S/C26H21FN2O5/c1-32-25(30)22-20-13-18(12-16-8-10-19(27)11-9-16)14-28-21(20)24(23(29-22)26(31)33-2)34-15-17-6-4-3-5-7-17/h3-11,13-14H,12,15H2,1-2H3
InChIKeyMCWQHPDKSCIQJR-UHFFFAOYSA-N
XLogP4.51
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(C-ethanimidoyloxycarbonimidoyl)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 142873195
methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine
CID 142873151
methyl 5-(dimethylsulfamoylamino)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 59696409
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(morpholine-4-carbonyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(morpholine-4-carbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 158130691
3-[(4-fluorophenyl)methyl]-7-methyl-8-phenylmethoxyquinoline-5-carboxylic acid
CID 59696278
5-bromo-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylic acid
CID 59696323
methyl 5-(butylcarbamoyl)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate
CID 59696325
oxan-4-yl 3-[(4-fluorophenyl)methyl]-5-iodo-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 59696285
3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid
CID 59696491
methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10384451
methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 59696527
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxylate
CID 59696516

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate?
The IUPAC name of dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate (CID 59696253) is dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate.
What is the SMILES notation for dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate?
The canonical SMILES for dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate is COC(=O)c1nc(C(=O)OC)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1.
What is the InChIKey of dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate?
The InChIKey is MCWQHPDKSCIQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O5/c1-32-25(30)22-20-13-18(12-16-8-10-19(27)11-9-16)14-28-21(20)24(23(29-22)26(31)33-2)34-15-17-6-4-3-5-7-17/h3-11,13-14H,12,15H2,1-2H3.
What are the key properties of dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate?
dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate has a molecular weight of 460.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate is sourced from PubChem (CID 59696253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).