1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione

C18H18N4O4 — CID 67381230

IUPAC1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione
SMILESCOc1cc(CNN2C(=O)C=CC2=O)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C18H18N4O4/c1-26-13-8-10(9-20-22-14(23)4-5-15(22)24)7-12-16(13)17-11(18(25)21-12)3-2-6-19-17/h4-5,7-8,19-20H,2-3,6,9H2,1H3,(H,21,25)
InChIKeyGTEZCMKPSZKSDV-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.82
Rot. Bonds4

About 1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione

1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione (PubChem CID 67381230) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione
PubChem CID67381230
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione
SMILESCOc1cc(CNN2C(=O)C=CC2=O)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C18H18N4O4/c1-26-13-8-10(9-20-22-14(23)4-5-15(22)24)7-12-16(13)17-11(18(25)21-12)3-2-6-19-17/h4-5,7-8,19-20H,2-3,6,9H2,1H3,(H,21,25)
InChIKeyGTEZCMKPSZKSDV-UHFFFAOYSA-N
XLogP0.82
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione?
The IUPAC name of 1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione (CID 67381230) is 1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione?
The canonical SMILES for 1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione is COc1cc(CNN2C(=O)C=CC2=O)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione?
The InChIKey is GTEZCMKPSZKSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-26-13-8-10(9-20-22-14(23)4-5-15(22)24)7-12-16(13)17-11(18(25)21-12)3-2-6-19-17/h4-5,7-8,19-20H,2-3,6,9H2,1H3,(H,21,25).
What are the key properties of 1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione?
1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione has a molecular weight of 354.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione is sourced from PubChem (CID 67381230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).