methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine

C29H30FN5O5 — CID 142873151

IUPACmethyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine
SMILESC1COCCN1.COC(=O)c1nc(C(=O)NN)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1
InChIInChI=1S/C25H21FN4O4.C4H9NO/c1-33-25(32)22-23(34-14-16-5-3-2-4-6-16)20-19(21(29-22)24(31)30-27)12-17(13-28-20)11-15-7-9-18(26)10-8-15;1-3-6-4-2-5-1/h2-10,12-13H,11,14,27H2,1H3,(H,30,31);5H,1-4H2
InChIKeyXAVLSIXVUHZDSK-UHFFFAOYSA-N
MW547.59 g/mol
LogP2.93
Rot. Bonds7

About methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine

methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine (PubChem CID 142873151) has the molecular formula C29H30FN5O5 and a molecular weight of 547.59 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine
PubChem CID142873151
Molecular FormulaC29H30FN5O5
Molecular Weight547.59 g/mol
Exact Mass547.22
IUPAC Namemethyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine
SMILESC1COCCN1.COC(=O)c1nc(C(=O)NN)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1
InChIInChI=1S/C25H21FN4O4.C4H9NO/c1-33-25(32)22-23(34-14-16-5-3-2-4-6-16)20-19(21(29-22)24(31)30-27)12-17(13-28-20)11-15-7-9-18(26)10-8-15;1-3-6-4-2-5-1/h2-10,12-13H,11,14,27H2,1H3,(H,30,31);5H,1-4H2
InChIKeyXAVLSIXVUHZDSK-UHFFFAOYSA-N
XLogP2.93
TPSA137.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.59
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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]-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
methyl 5-(C-ethanimidoyloxycarbonimidoyl)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 142873195
oxan-4-yl 3-[(4-fluorophenyl)methyl]-5-iodo-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 59696285
methyl 5-(dimethylsulfamoylamino)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 59696409
3-[(4-fluorophenyl)methyl]-7-methyl-8-phenylmethoxyquinoline-5-carboxylic acid
CID 59696278
methyl 5-(butylcarbamoyl)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate
CID 59696325
5-bromo-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylic acid
CID 59696323
3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid
CID 59696491
methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 59696527
methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10384451
methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate
CID 68819922

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine?
The IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine (CID 142873151) is methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine is C1COCCN1.COC(=O)c1nc(C(=O)NN)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine?
The InChIKey is XAVLSIXVUHZDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4.C4H9NO/c1-33-25(32)22-23(34-14-16-5-3-2-4-6-16)20-19(21(29-22)24(31)30-27)12-17(13-28-20)11-15-7-9-18(26)10-8-15;1-3-6-4-2-5-1/h2-10,12-13H,11,14,27H2,1H3,(H,30,31);5H,1-4H2.
What are the key properties of methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine?
methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine has a molecular weight of 547.59 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methyl]-5-(hydrazinecarbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate;morpholine is sourced from PubChem (CID 142873151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).