1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one

C21H15ClN2O5 — CID 71103474

IUPAC1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
SMILESO=C1CC2(COc3cc4c(cc32)OCO4)c2ncccc2N1Cc1ccc(Cl)o1
InChIInChI=1S/C21H15ClN2O5/c22-18-4-3-12(29-18)9-24-14-2-1-5-23-20(14)21(8-19(24)25)10-26-15-7-17-16(6-13(15)21)27-11-28-17/h1-7H,8-11H2
InChIKeyJOMUOQZICJBREG-UHFFFAOYSA-N
MW410.81 g/mol
LogP3.67
Rot. Bonds2

About 1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one

1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one (PubChem CID 71103474) has the molecular formula C21H15ClN2O5 and a molecular weight of 410.81 g/mol. Its IUPAC name is 1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one.

Molecular Properties

Compound Name1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
PubChem CID71103474
Molecular FormulaC21H15ClN2O5
Molecular Weight410.81 g/mol
Exact Mass410.07
IUPAC Name1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
SMILESO=C1CC2(COc3cc4c(cc32)OCO4)c2ncccc2N1Cc1ccc(Cl)o1
InChIInChI=1S/C21H15ClN2O5/c22-18-4-3-12(29-18)9-24-14-2-1-5-23-20(14)21(8-19(24)25)10-26-15-7-17-16(6-13(15)21)27-11-28-17/h1-7H,8-11H2
InChIKeyJOMUOQZICJBREG-UHFFFAOYSA-N
XLogP3.67
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
The IUPAC name of 1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one (CID 71103474) is 1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one.
What is the SMILES notation for 1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
The canonical SMILES for 1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one is O=C1CC2(COc3cc4c(cc32)OCO4)c2ncccc2N1Cc1ccc(Cl)o1.
What is the InChIKey of 1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
The InChIKey is JOMUOQZICJBREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O5/c22-18-4-3-12(29-18)9-24-14-2-1-5-23-20(14)21(8-19(24)25)10-26-15-7-17-16(6-13(15)21)27-11-28-17/h1-7H,8-11H2.
What are the key properties of 1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one has a molecular weight of 410.81 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorofuran-2-yl)methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one is sourced from PubChem (CID 71103474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).