6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one

C19H12N4O2 — CID 137423273

IUPAC6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)cc12
InChIInChI=1S/C19H12N4O2/c24-16-5-6-20-19-13(16)9-12(18(23-19)17-2-1-7-25-17)11-3-4-14-15(8-11)22-10-21-14/h1-10H,(H,21,22)(H,20,23,24)
InChIKeyFSMXUYWQCINSRR-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.73
Rot. Bonds2

About 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one

6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137423273) has the molecular formula C19H12N4O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137423273
Molecular FormulaC19H12N4O2
Molecular Weight328.33 g/mol
Exact Mass328.10
IUPAC Name6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)cc12
InChIInChI=1S/C19H12N4O2/c24-16-5-6-20-19-13(16)9-12(18(23-19)17-2-1-7-25-17)11-3-4-14-15(8-11)22-10-21-14/h1-10H,(H,21,22)(H,20,23,24)
InChIKeyFSMXUYWQCINSRR-UHFFFAOYSA-N
XLogP3.73
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one (CID 137423273) is 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)cc12.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is FSMXUYWQCINSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2/c24-16-5-6-20-19-13(16)9-12(18(23-19)17-2-1-7-25-17)11-3-4-14-15(8-11)22-10-21-14/h1-10H,(H,21,22)(H,20,23,24).
What are the key properties of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one?
6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 328.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137423273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).