[2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate

C23H18FN5O2 — CID 142969329

IUPAC[2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate
SMILES[H]/N=C(\O/C(Cc1ccc(F)cc1)=N/[H])c1nc(-c2cccc(N)c2)c2cccnc2c1O
InChIInChI=1S/C23H18FN5O2/c24-15-8-6-13(7-9-15)11-18(26)31-23(27)21-22(30)20-17(5-2-10-28-20)19(29-21)14-3-1-4-16(25)12-14/h1-10,12,26-27,30H,11,25H2/b26-18+,27-23-
InChIKeyUNHXPVOACJBPBP-QAIMMZNISA-N
MW415.43 g/mol
LogP4.29
Rot. Bonds4

About [2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate

[2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate (PubChem CID 142969329) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is [2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate
PubChem CID142969329
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name[2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate
SMILES[H]/N=C(\O/C(Cc1ccc(F)cc1)=N/[H])c1nc(-c2cccc(N)c2)c2cccnc2c1O
InChIInChI=1S/C23H18FN5O2/c24-15-8-6-13(7-9-15)11-18(26)31-23(27)21-22(30)20-17(5-2-10-28-20)19(29-21)14-3-1-4-16(25)12-14/h1-10,12,26-27,30H,11,25H2/b26-18+,27-23-
InChIKeyUNHXPVOACJBPBP-QAIMMZNISA-N
XLogP4.29
TPSA128.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 135567438
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CID 122196338
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CID 136046124
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CID 136046125
CID 136046125
CID 164611944
CID 164611944
CID 3561203
CID 3561203
CID 5012755
CID 5012755
CID 146676613
CID 146676613
CID 155295590
CID 155295590
CID 136335016
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CID 3509636
CID 3509636

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate?
The IUPAC name of [2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate (CID 142969329) is [2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate.
What is the SMILES notation for [2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate?
The canonical SMILES for [2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate is [H]/N=C(\O/C(Cc1ccc(F)cc1)=N/[H])c1nc(-c2cccc(N)c2)c2cccnc2c1O.
What is the InChIKey of [2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate?
The InChIKey is UNHXPVOACJBPBP-QAIMMZNISA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-15-8-6-13(7-9-15)11-18(26)31-23(27)21-22(30)20-17(5-2-10-28-20)19(29-21)14-3-1-4-16(25)12-14/h1-10,12,26-27,30H,11,25H2/b26-18+,27-23-.
What are the key properties of [2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate?
[2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate has a molecular weight of 415.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate is sourced from PubChem (CID 142969329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).