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

C20H18FN5O4 — CID 142969356

IUPAC[2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate
SMILES[H]/N=C(\O/C(Cc1ccc(F)cc1)=N/[H])c1nc(C(=O)NCCO)c2cccnc2c1O
InChIInChI=1S/C20H18FN5O4/c21-12-5-3-11(4-6-12)10-14(22)30-19(23)17-18(28)15-13(2-1-7-24-15)16(26-17)20(29)25-8-9-27/h1-7,22-23,27-28H,8-10H2,(H,25,29)/b22-14+,23-19-
InChIKeyYMUCHCRBDNCWMH-UNAQQWBGSA-N
MW411.39 g/mol
LogP1.76
Rot. Bonds6

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

[2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate (PubChem CID 142969356) has the molecular formula C20H18FN5O4 and a molecular weight of 411.39 g/mol. Its IUPAC name is [2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate
PubChem CID142969356
Molecular FormulaC20H18FN5O4
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name[2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate
SMILES[H]/N=C(\O/C(Cc1ccc(F)cc1)=N/[H])c1nc(C(=O)NCCO)c2cccnc2c1O
InChIInChI=1S/C20H18FN5O4/c21-12-5-3-11(4-6-12)10-14(22)30-19(23)17-18(28)15-13(2-1-7-24-15)16(26-17)20(29)25-8-9-27/h1-7,22-23,27-28H,8-10H2,(H,25,29)/b22-14+,23-19-
InChIKeyYMUCHCRBDNCWMH-UNAQQWBGSA-N
XLogP1.76
TPSA152.27 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 51.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(3-hydroxypropylcarbamoyl)-1,6-naphthyridine-7-carboximidate
CID 142969350
[2-(4-fluorophenyl)ethanimidoyl] 5-(3-aminophenyl)-8-hydroxy-1,6-naphthyridine-7-carboximidate
CID 142969329
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 86280638
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide
CID 135869555
5-[2-(dimethylamino)-2-oxoethoxy]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346292
6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide
CID 143149286
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
CID 15958274
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxopyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide
CID 44579015
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide
CID 135869552
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide
CID 22346465

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate?
The IUPAC name of [2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate (CID 142969356) is [2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate.
What is the SMILES notation for [2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate?
The canonical SMILES for [2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate is [H]/N=C(\O/C(Cc1ccc(F)cc1)=N/[H])c1nc(C(=O)NCCO)c2cccnc2c1O.
What is the InChIKey of [2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate?
The InChIKey is YMUCHCRBDNCWMH-UNAQQWBGSA-N. The full InChI is InChI=1S/C20H18FN5O4/c21-12-5-3-11(4-6-12)10-14(22)30-19(23)17-18(28)15-13(2-1-7-24-15)16(26-17)20(29)25-8-9-27/h1-7,22-23,27-28H,8-10H2,(H,25,29)/b22-14+,23-19-.
What are the key properties of [2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate?
[2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate has a molecular weight of 411.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)ethanimidoyl] 8-hydroxy-5-(2-hydroxyethylcarbamoyl)-1,6-naphthyridine-7-carboximidate is sourced from PubChem (CID 142969356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).