2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione

C20H16ClN3O3 — CID 58093656

IUPAC2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione
SMILESCOc1nccc2cc(CCCN3C(=O)c4ccccc4C3=O)nc(Cl)c12
InChIInChI=1S/C20H16ClN3O3/c1-27-18-16-12(8-9-22-18)11-13(23-17(16)21)5-4-10-24-19(25)14-6-2-3-7-15(14)20(24)26/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyLXUFLTAEXKTHNP-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.52
Rot. Bonds5

About 2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione

2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione (PubChem CID 58093656) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione
PubChem CID58093656
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione
SMILESCOc1nccc2cc(CCCN3C(=O)c4ccccc4C3=O)nc(Cl)c12
InChIInChI=1S/C20H16ClN3O3/c1-27-18-16-12(8-9-22-18)11-13(23-17(16)21)5-4-10-24-19(25)14-6-2-3-7-15(14)20(24)26/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyLXUFLTAEXKTHNP-UHFFFAOYSA-N
XLogP3.52
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione
CID 58094405
4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde
CID 88989076
6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine
CID 159328952
2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione
CID 146273598
2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione
CID 22936492
2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione
CID 66612243
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-[(E)-4-(4-methoxyphenyl)but-3-enyl]isoindole-1,3-dione
CID 10566659
2-[6-(2H-triazol-4-yl)hexyl]isoindole-1,3-dione
CID 162717385
2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione
CID 2779187
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione (CID 58093656) is 2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione is COc1nccc2cc(CCCN3C(=O)c4ccccc4C3=O)nc(Cl)c12.
What is the InChIKey of 2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione?
The InChIKey is LXUFLTAEXKTHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-18-16-12(8-9-22-18)11-13(23-17(16)21)5-4-10-24-19(25)14-6-2-3-7-15(14)20(24)26/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of 2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione?
2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione has a molecular weight of 381.82 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 58093656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).