5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one

C15H12FN3O — CID 25195487

IUPAC5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2c(NC3CC3)nc3ccc(F)cc3c12
InChIInChI=1S/C15H12FN3O/c16-8-1-4-12-11(7-8)13-10(5-6-17-15(13)20)14(19-12)18-9-2-3-9/h1,4-7,9H,2-3H2,(H,17,20)(H,18,19)
InChIKeyJVUPCNIPPMTQKN-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.79
Rot. Bonds2

About 5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one

5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one (PubChem CID 25195487) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one
PubChem CID25195487
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2c(NC3CC3)nc3ccc(F)cc3c12
InChIInChI=1S/C15H12FN3O/c16-8-1-4-12-11(7-8)13-10(5-6-17-15(13)20)14(19-12)18-9-2-3-9/h1,4-7,9H,2-3H2,(H,17,20)(H,18,19)
InChIKeyJVUPCNIPPMTQKN-UHFFFAOYSA-N
XLogP2.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 50925513
N-(2-quinolinyl)benzamide
CID 2812454
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
9-Acridinecarboxamide, 1,2,3,4-tetrahydro-N-(1-methylethyl)-
CID 824113
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dibutylamide
CID 11223216
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11326121
N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide
CID 11348290
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11394108
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one?
The IUPAC name of 5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one (CID 25195487) is 5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one.
What is the SMILES notation for 5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one?
The canonical SMILES for 5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one is O=c1[nH]ccc2c(NC3CC3)nc3ccc(F)cc3c12.
What is the InChIKey of 5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one?
The InChIKey is JVUPCNIPPMTQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-8-1-4-12-11(7-8)13-10(5-6-17-15(13)20)14(19-12)18-9-2-3-9/h1,4-7,9H,2-3H2,(H,17,20)(H,18,19).
What are the key properties of 5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one?
5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one has a molecular weight of 269.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one is sourced from PubChem (CID 25195487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).