2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one

C18H20N4O2 — CID 10871043

IUPAC2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
SMILESO=c1[nH]c2ccc(NCCN3CCOCC3)nc2c2ccccc12
InChIInChI=1S/C18H20N4O2/c23-18-14-4-2-1-3-13(14)17-15(20-18)5-6-16(21-17)19-7-8-22-9-11-24-12-10-22/h1-6H,7-12H2,(H,19,21)(H,20,23)
InChIKeyGSSQKNYFBLSZQD-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.82
Rot. Bonds4

About 2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one

2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one (PubChem CID 10871043) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
PubChem CID10871043
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
SMILESO=c1[nH]c2ccc(NCCN3CCOCC3)nc2c2ccccc12
InChIInChI=1S/C18H20N4O2/c23-18-14-4-2-1-3-13(14)17-15(20-18)5-6-16(21-17)19-7-8-22-9-11-24-12-10-22/h1-6H,7-12H2,(H,19,21)(H,20,23)
InChIKeyGSSQKNYFBLSZQD-UHFFFAOYSA-N
XLogP1.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one (CID 10871043) is 2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one is O=c1[nH]c2ccc(NCCN3CCOCC3)nc2c2ccccc12.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one?
The InChIKey is GSSQKNYFBLSZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18-14-4-2-1-3-13(14)17-15(20-18)5-6-16(21-17)19-7-8-22-9-11-24-12-10-22/h1-6H,7-12H2,(H,19,21)(H,20,23).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one?
2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one has a molecular weight of 324.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one is sourced from PubChem (CID 10871043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).