2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione

C19H15N3O4 — CID 58094405

IUPAC2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione
SMILESCOc1nccc2cc(CCN3C(=O)c4ccccc4C3=O)[nH]c(=O)c12
InChIInChI=1S/C19H15N3O4/c1-26-17-15-11(6-8-20-17)10-12(21-16(15)23)7-9-22-18(24)13-4-2-3-5-14(13)19(22)25/h2-6,8,10H,7,9H2,1H3,(H,21,23)
InChIKeyBDNBXRNJTSOEFQ-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.77
Rot. Bonds4

About 2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione

2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione (PubChem CID 58094405) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione
PubChem CID58094405
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione
SMILESCOc1nccc2cc(CCN3C(=O)c4ccccc4C3=O)[nH]c(=O)c12
InChIInChI=1S/C19H15N3O4/c1-26-17-15-11(6-8-20-17)10-12(21-16(15)23)7-9-22-18(24)13-4-2-3-5-14(13)19(22)25/h2-6,8,10H,7,9H2,1H3,(H,21,23)
InChIKeyBDNBXRNJTSOEFQ-UHFFFAOYSA-N
XLogP1.77
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione (CID 58094405) is 2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione is COc1nccc2cc(CCN3C(=O)c4ccccc4C3=O)[nH]c(=O)c12.
What is the InChIKey of 2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione?
The InChIKey is BDNBXRNJTSOEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-26-17-15-11(6-8-20-17)10-12(21-16(15)23)7-9-22-18(24)13-4-2-3-5-14(13)19(22)25/h2-6,8,10H,7,9H2,1H3,(H,21,23).
What are the key properties of 2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione?
2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione has a molecular weight of 349.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 58094405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).