6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid

C23H18FN3O4 — CID 90967718

IUPAC6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)C(=O)CN(C(=O)O)C3)cc1F
InChIInChI=1S/C23H18FN3O4/c1-31-19-7-6-12(8-14(19)24)9-16-22-20(13-4-2-3-5-15(13)26-22)21-17(25-16)10-27(23(29)30)11-18(21)28/h2-8,26H,9-11H2,1H3,(H,29,30)
InChIKeyMNJIJPKNBGYONH-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.13
Rot. Bonds3

About 6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid

6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid (PubChem CID 90967718) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is 6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid
PubChem CID90967718
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Name6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)C(=O)CN(C(=O)O)C3)cc1F
InChIInChI=1S/C23H18FN3O4/c1-31-19-7-6-12(8-14(19)24)9-16-22-20(13-4-2-3-5-15(13)26-22)21-17(25-16)10-27(23(29)30)11-18(21)28/h2-8,26H,9-11H2,1H3,(H,29,30)
InChIKeyMNJIJPKNBGYONH-UHFFFAOYSA-N
XLogP4.13
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid (CID 90967718) is 6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid is COc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)C(=O)CN(C(=O)O)C3)cc1F.
What is the InChIKey of 6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid?
The InChIKey is MNJIJPKNBGYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-31-19-7-6-12(8-14(19)24)9-16-22-20(13-4-2-3-5-15(13)26-22)21-17(25-16)10-27(23(29)30)11-18(21)28/h2-8,26H,9-11H2,1H3,(H,29,30).
What are the key properties of 6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid?
6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid has a molecular weight of 419.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid is sourced from PubChem (CID 90967718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).