2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one

C18H22N4O — CID 11781868

IUPAC2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one
SMILESCCN(CC)CCNc1ccc2[nH]c(=O)c3ccccc3c2n1
InChIInChI=1S/C18H22N4O/c1-3-22(4-2)12-11-19-16-10-9-15-17(21-16)13-7-5-6-8-14(13)18(23)20-15/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyJHVKDQAXWUMOCB-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.83
Rot. Bonds6

About 2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one

2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one (PubChem CID 11781868) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one
PubChem CID11781868
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one
SMILESCCN(CC)CCNc1ccc2[nH]c(=O)c3ccccc3c2n1
InChIInChI=1S/C18H22N4O/c1-3-22(4-2)12-11-19-16-10-9-15-17(21-16)13-7-5-6-8-14(13)18(23)20-15/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyJHVKDQAXWUMOCB-UHFFFAOYSA-N
XLogP2.83
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
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 2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one (CID 11781868) is 2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one is CCN(CC)CCNc1ccc2[nH]c(=O)c3ccccc3c2n1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one?
The InChIKey is JHVKDQAXWUMOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-22(4-2)12-11-19-16-10-9-15-17(21-16)13-7-5-6-8-14(13)18(23)20-15/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of 2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one?
2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one has a molecular weight of 310.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-5H-benzo[c][1,5]naphthyridin-6-one is sourced from PubChem (CID 11781868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).