7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione

C16H10ClN3O2 — CID 21422103

IUPAC7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione
SMILESO=C1NC(=O)C2(c3ccc4c(Cl)ccnc4n3)C=CC=CC12
InChIInChI=1S/C16H10ClN3O2/c17-11-6-8-18-13-9(11)4-5-12(19-13)16-7-2-1-3-10(16)14(21)20-15(16)22/h1-8,10H,(H,20,21,22)
InChIKeyHYVIQSMMLRIFDJ-UHFFFAOYSA-N
MW311.73 g/mol
LogP1.92
Rot. Bonds1

About 7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione

7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione (PubChem CID 21422103) has the molecular formula C16H10ClN3O2 and a molecular weight of 311.73 g/mol. Its IUPAC name is 7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione.

Molecular Properties

Compound Name7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione
PubChem CID21422103
Molecular FormulaC16H10ClN3O2
Molecular Weight311.73 g/mol
Exact Mass311.05
IUPAC Name7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione
SMILESO=C1NC(=O)C2(c3ccc4c(Cl)ccnc4n3)C=CC=CC12
InChIInChI=1S/C16H10ClN3O2/c17-11-6-8-18-13-9(11)4-5-12(19-13)16-7-2-1-3-10(16)14(21)20-15(16)22/h1-8,10H,(H,20,21,22)
InChIKeyHYVIQSMMLRIFDJ-UHFFFAOYSA-N
XLogP1.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione?
The IUPAC name of 7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione (CID 21422103) is 7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione.
What is the SMILES notation for 7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione?
The canonical SMILES for 7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione is O=C1NC(=O)C2(c3ccc4c(Cl)ccnc4n3)C=CC=CC12.
What is the InChIKey of 7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione?
The InChIKey is HYVIQSMMLRIFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2/c17-11-6-8-18-13-9(11)4-5-12(19-13)16-7-2-1-3-10(16)14(21)20-15(16)22/h1-8,10H,(H,20,21,22).
What are the key properties of 7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione?
7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione has a molecular weight of 311.73 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(5-chloro-1,8-naphthyridin-2-yl)-3aH-isoindole-1,3-dione is sourced from PubChem (CID 21422103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).