1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one

C19H13FN2O — CID 118148099

IUPAC1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one
SMILESCc1ccc2ncc3ccc(=O)n(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C19H13FN2O/c1-12-2-8-17-16(10-12)19-13(11-21-17)3-9-18(23)22(19)15-6-4-14(20)5-7-15/h2-11H,1H3
InChIKeyMUTZSEIXCCIEAA-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.99
Rot. Bonds1

About 1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one

1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 118148099) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one
PubChem CID118148099
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one
SMILESCc1ccc2ncc3ccc(=O)n(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C19H13FN2O/c1-12-2-8-17-16(10-12)19-13(11-21-17)3-9-18(23)22(19)15-6-4-14(20)5-7-15/h2-11H,1H3
InChIKeyMUTZSEIXCCIEAA-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one (CID 118148099) is 1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one is Cc1ccc2ncc3ccc(=O)n(-c4ccc(F)cc4)c3c2c1.
What is the InChIKey of 1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one?
The InChIKey is MUTZSEIXCCIEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c1-12-2-8-17-16(10-12)19-13(11-21-17)3-9-18(23)22(19)15-6-4-14(20)5-7-15/h2-11H,1H3.
What are the key properties of 1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one?
1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 304.32 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 118148099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).