7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide

C26H30FN5O5 — CID 58882965

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCN(C)CC2)c1=O
InChIInChI=1S/C26H30FN5O5/c1-30-8-10-31(11-9-30)21(33)16-32-20-14-18(13-17-3-5-19(27)6-4-17)15-29-23(20)24(34)22(26(32)36)25(35)28-7-12-37-2/h3-6,14-15,34H,7-13,16H2,1-2H3,(H,28,35)
InChIKeyKVDQIQQSORQTEK-UHFFFAOYSA-N
MW511.55 g/mol
LogP0.98
Rot. Bonds8

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 58882965) has the molecular formula C26H30FN5O5 and a molecular weight of 511.55 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID58882965
Molecular FormulaC26H30FN5O5
Molecular Weight511.55 g/mol
Exact Mass511.22
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCN(C)CC2)c1=O
InChIInChI=1S/C26H30FN5O5/c1-30-8-10-31(11-9-30)21(33)16-32-20-14-18(13-17-3-5-19(27)6-4-17)15-29-23(20)24(34)22(26(32)36)25(35)28-7-12-37-2/h3-6,14-15,34H,7-13,16H2,1-2H3,(H,28,35)
InChIKeyKVDQIQQSORQTEK-UHFFFAOYSA-N
XLogP0.98
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.55
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide (CID 58882965) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCN(C)CC2)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is KVDQIQQSORQTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O5/c1-30-8-10-31(11-9-30)21(33)16-32-20-14-18(13-17-3-5-19(27)6-4-17)15-29-23(20)24(34)22(26(32)36)25(35)28-7-12-37-2/h3-6,14-15,34H,7-13,16H2,1-2H3,(H,28,35).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 58882965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).