5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione

C19H13FN2O3 — CID 139827006

IUPAC5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione
SMILESCOc1ccc2nc3c(c(-c4ccc(F)cc4)c2c1)CC(=O)NC3=O
InChIInChI=1S/C19H13FN2O3/c1-25-12-6-7-15-13(8-12)17(10-2-4-11(20)5-3-10)14-9-16(23)22-19(24)18(14)21-15/h2-8H,9H2,1H3,(H,22,23,24)
InChIKeyZSKOYZRBJOEAJP-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.86
Rot. Bonds2

About 5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione

5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione (PubChem CID 139827006) has the molecular formula C19H13FN2O3 and a molecular weight of 336.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione
PubChem CID139827006
Molecular FormulaC19H13FN2O3
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC Name5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione
SMILESCOc1ccc2nc3c(c(-c4ccc(F)cc4)c2c1)CC(=O)NC3=O
InChIInChI=1S/C19H13FN2O3/c1-25-12-6-7-15-13(8-12)17(10-2-4-11(20)5-3-10)14-9-16(23)22-19(24)18(14)21-15/h2-8H,9H2,1H3,(H,22,23,24)
InChIKeyZSKOYZRBJOEAJP-UHFFFAOYSA-N
XLogP2.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
4-fluoro-6-methoxy-3H-quinazolin-2-one
CID 70521421
[(3S)-8-fluoro-4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-oxo-3H-pyrrolo[3,4-c]quinolin-3-yl] acetate
CID 139187349
6-fluoro-4-(4-methoxyphenyl)-3-methylquinoline
CID 122371652
(4R,6S)-6-[2-[2-cyclopropyl-4-(4-fluorophenyl)-6-methoxyquinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 90942291
3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium
CID 134983325
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
4-ethyl-6-methoxy-2,3-diphenylquinoline
CID 22395291
4-(4-fluorophenyl)-7-methoxy-3-propan-2-ylquinoline
CID 156880047
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline
CID 101082516

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione?
The IUPAC name of 5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione (CID 139827006) is 5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione?
The canonical SMILES for 5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione is COc1ccc2nc3c(c(-c4ccc(F)cc4)c2c1)CC(=O)NC3=O.
What is the InChIKey of 5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione?
The InChIKey is ZSKOYZRBJOEAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3/c1-25-12-6-7-15-13(8-12)17(10-2-4-11(20)5-3-10)14-9-16(23)22-19(24)18(14)21-15/h2-8H,9H2,1H3,(H,22,23,24).
What are the key properties of 5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione?
5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione has a molecular weight of 336.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione is sourced from PubChem (CID 139827006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).