1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone

C17H15N3O — CID 118175984

IUPAC1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)nc(NC1CC1)c1ccncc12
InChIInChI=1S/C17H15N3O/c1-10(21)11-2-5-13-15-9-18-7-6-14(15)17(19-12-3-4-12)20-16(13)8-11/h2,5-9,12H,3-4H2,1H3,(H,19,20)
InChIKeyDKEGGXGDLHUDAV-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.56
Rot. Bonds3

About 1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone

1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone (PubChem CID 118175984) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone.

Molecular Properties

Compound Name1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone
PubChem CID118175984
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)nc(NC1CC1)c1ccncc12
InChIInChI=1S/C17H15N3O/c1-10(21)11-2-5-13-15-9-18-7-6-14(15)17(19-12-3-4-12)20-16(13)8-11/h2,5-9,12H,3-4H2,1H3,(H,19,20)
InChIKeyDKEGGXGDLHUDAV-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone?
The IUPAC name of 1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone (CID 118175984) is 1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone.
What is the SMILES notation for 1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone?
The canonical SMILES for 1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone is CC(=O)c1ccc2c(c1)nc(NC1CC1)c1ccncc12.
What is the InChIKey of 1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone?
The InChIKey is DKEGGXGDLHUDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10(21)11-2-5-13-15-9-18-7-6-14(15)17(19-12-3-4-12)20-16(13)8-11/h2,5-9,12H,3-4H2,1H3,(H,19,20).
What are the key properties of 1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone?
1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone has a molecular weight of 277.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone is sourced from PubChem (CID 118175984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).