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

C51H46F2N6O10 — CID 158130691

IUPACmethyl 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
SMILESCOC(=O)c1nc(C(=O)N2CCOCC2)c2cc(Cc3ccc(F)cc3)cnc2c1O.COC(=O)c1nc(C(=O)N2CCOCC2)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1
InChIInChI=1S/C29H26FN3O5.C22H20FN3O5/c1-36-29(35)26-27(38-18-20-5-3-2-4-6-20)24-23(25(32-26)28(34)33-11-13-37-14-12-33)16-21(17-31-24)15-19-7-9-22(30)10-8-19;1-30-22(29)19-20(27)17-16(18(25-19)21(28)26-6-8-31-9-7-26)11-14(12-24-17)10-13-2-4-15(23)5-3-13/h2-10,16-17H,11-15,18H2,1H3;2-5,11-12,27H,6-10H2,1H3
InChIKeyFSSVUZHMLSCKGZ-UHFFFAOYSA-N
MW940.96 g/mol
LogP6.52
Rot. Bonds11

About 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

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 (PubChem CID 158130691) has the molecular formula C51H46F2N6O10 and a molecular weight of 940.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID158130691
Molecular FormulaC51H46F2N6O10
Molecular Weight940.96 g/mol
Exact Mass940.32
IUPAC Namemethyl 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
SMILESCOC(=O)c1nc(C(=O)N2CCOCC2)c2cc(Cc3ccc(F)cc3)cnc2c1O.COC(=O)c1nc(C(=O)N2CCOCC2)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1
InChIInChI=1S/C29H26FN3O5.C22H20FN3O5/c1-36-29(35)26-27(38-18-20-5-3-2-4-6-20)24-23(25(32-26)28(34)33-11-13-37-14-12-33)16-21(17-31-24)15-19-7-9-22(30)10-8-19;1-30-22(29)19-20(27)17-16(18(25-19)21(28)26-6-8-31-9-7-26)11-14(12-24-17)10-13-2-4-15(23)5-3-13/h2-10,16-17H,11-15,18H2,1H3;2-5,11-12,27H,6-10H2,1H3
InChIKeyFSSVUZHMLSCKGZ-UHFFFAOYSA-N
XLogP6.52
TPSA192.70 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.96
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate
CID 59696253
methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine
CID 142873151
methyl 5-(C-ethanimidoyloxycarbonimidoyl)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 142873195
methyl 5-(dimethylsulfamoylamino)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 59696409
oxan-4-yl 3-[(4-fluorophenyl)methyl]-5-iodo-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 59696285
methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10384451
3-[(4-fluorophenyl)methyl]-7-methyl-8-phenylmethoxyquinoline-5-carboxylic acid
CID 59696278
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
CID 58000042
methyl 3-[(4-fluorophenyl)methyl]-5-(4-formylpiperazine-1-carbonyl)-8-hydroxyquinoline-7-carboxylate
CID 87717733
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxylate
CID 59696516
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(thiomorpholine-4-carbonyl)quinoline-7-carboxylate
CID 68820424
5-bromo-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylic acid
CID 59696323

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1nc(C(=O)N2CCOCC2)c2cc(Cc3ccc(F)cc3)cnc2c1O.COC(=O)c1nc(C(=O)N2CCOCC2)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is FSSVUZHMLSCKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN3O5.C22H20FN3O5/c1-36-29(35)26-27(38-18-20-5-3-2-4-6-20)24-23(25(32-26)28(34)33-11-13-37-14-12-33)16-21(17-31-24)15-19-7-9-22(30)10-8-19;1-30-22(29)19-20(27)17-16(18(25-19)21(28)26-6-8-31-9-7-26)11-14(12-24-17)10-13-2-4-15(23)5-3-13/h2-10,16-17H,11-15,18H2,1H3;2-5,11-12,27H,6-10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 940.96 g/mol, XLogP of 6.52, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158130691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).