7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione

C17H13N3O3 — CID 21422110

IUPAC7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione
SMILESCOc1ccc2ccc(C34C=CC=CC3C(=O)NC4=O)nc2n1
InChIInChI=1S/C17H13N3O3/c1-23-13-8-6-10-5-7-12(18-14(10)19-13)17-9-3-2-4-11(17)15(21)20-16(17)22/h2-9,11H,1H3,(H,20,21,22)
InChIKeyHTRFNCJOXVMBSF-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.27
Rot. Bonds2

About 7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione

7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione (PubChem CID 21422110) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione.

Molecular Properties

Compound Name7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione
PubChem CID21422110
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione
SMILESCOc1ccc2ccc(C34C=CC=CC3C(=O)NC4=O)nc2n1
InChIInChI=1S/C17H13N3O3/c1-23-13-8-6-10-5-7-12(18-14(10)19-13)17-9-3-2-4-11(17)15(21)20-16(17)22/h2-9,11H,1H3,(H,20,21,22)
InChIKeyHTRFNCJOXVMBSF-UHFFFAOYSA-N
XLogP1.27
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.27
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 7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione?
The IUPAC name of 7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione (CID 21422110) is 7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione.
What is the SMILES notation for 7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione?
The canonical SMILES for 7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione is COc1ccc2ccc(C34C=CC=CC3C(=O)NC4=O)nc2n1.
What is the InChIKey of 7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione?
The InChIKey is HTRFNCJOXVMBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-23-13-8-6-10-5-7-12(18-14(10)19-13)17-9-3-2-4-11(17)15(21)20-16(17)22/h2-9,11H,1H3,(H,20,21,22).
What are the key properties of 7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione?
7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione has a molecular weight of 307.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(7-methoxy-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione is sourced from PubChem (CID 21422110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).