N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide

C23H25FN4O3 — CID 53236822

IUPACN-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O
InChIInChI=1S/C23H25FN4O3/c1-15(29)26(2)10-3-4-17-14-27(13-16-5-7-18(24)8-6-16)20-12-25-22-19(21(17)20)9-11-28(31)23(22)30/h5-8,12,14,31H,3-4,9-11,13H2,1-2H3
InChIKeyJQLFKDORBLFBHG-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.02
Rot. Bonds6

About N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide

N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide (PubChem CID 53236822) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide
PubChem CID53236822
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O
InChIInChI=1S/C23H25FN4O3/c1-15(29)26(2)10-3-4-17-14-27(13-16-5-7-18(24)8-6-16)20-12-25-22-19(21(17)20)9-11-28(31)23(22)30/h5-8,12,14,31H,3-4,9-11,13H2,1-2H3
InChIKeyJQLFKDORBLFBHG-UHFFFAOYSA-N
XLogP3.02
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide?
The IUPAC name of N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide (CID 53236822) is N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide?
The canonical SMILES for N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide is CC(=O)N(C)CCCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O.
What is the InChIKey of N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide?
The InChIKey is JQLFKDORBLFBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-15(29)26(2)10-3-4-17-14-27(13-16-5-7-18(24)8-6-16)20-12-25-22-19(21(17)20)9-11-28(31)23(22)30/h5-8,12,14,31H,3-4,9-11,13H2,1-2H3.
What are the key properties of N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide?
N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide has a molecular weight of 424.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]-N-methylacetamide is sourced from PubChem (CID 53236822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).