7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide

C21H19FN4O4 — CID 90666175

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc3c(ccn3Cc3ccc(F)cc3)c2[nH]c1=O
InChIInChI=1S/C21H19FN4O4/c1-30-9-7-23-20(28)16-19(27)18-17(25-21(16)29)14-6-8-26(15(14)10-24-18)11-12-2-4-13(22)5-3-12/h2-6,8,10H,7,9,11H2,1H3,(H,23,28)(H2,25,27,29)
InChIKeyVRJUUCOUYWMCDE-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.15
Rot. Bonds6

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide (PubChem CID 90666175) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide
PubChem CID90666175
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc3c(ccn3Cc3ccc(F)cc3)c2[nH]c1=O
InChIInChI=1S/C21H19FN4O4/c1-30-9-7-23-20(28)16-19(27)18-17(25-21(16)29)14-6-8-26(15(14)10-24-18)11-12-2-4-13(22)5-3-12/h2-6,8,10H,7,9,11H2,1H3,(H,23,28)(H2,25,27,29)
InChIKeyVRJUUCOUYWMCDE-UHFFFAOYSA-N
XLogP2.15
TPSA109.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide (CID 90666175) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc3c(ccn3Cc3ccc(F)cc3)c2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide?
The InChIKey is VRJUUCOUYWMCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-30-9-7-23-20(28)16-19(27)18-17(25-21(16)29)14-6-8-26(15(14)10-24-18)11-12-2-4-13(22)5-3-12/h2-6,8,10H,7,9,11H2,1H3,(H,23,28)(H2,25,27,29).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-pyrrolo[2,3-c][1,5]naphthyridine-3-carboxamide is sourced from PubChem (CID 90666175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).