4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one

C25H17N3O3 — CID 135900475

IUPAC4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one
SMILESO=c1[nH]nc(-c2cc3ccccc3o2)c2[nH]c3ccc(OCc4ccccc4)cc3c12
InChIInChI=1S/C25H17N3O3/c29-25-22-18-13-17(30-14-15-6-2-1-3-7-15)10-11-19(18)26-24(22)23(27-28-25)21-12-16-8-4-5-9-20(16)31-21/h1-13,26H,14H2,(H,28,29)
InChIKeyARXTVVRHJRBFBI-UHFFFAOYSA-N
MW407.43 g/mol
LogP5.40
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one

4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one (PubChem CID 135900475) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one
PubChem CID135900475
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC Name4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one
SMILESO=c1[nH]nc(-c2cc3ccccc3o2)c2[nH]c3ccc(OCc4ccccc4)cc3c12
InChIInChI=1S/C25H17N3O3/c29-25-22-18-13-17(30-14-15-6-2-1-3-7-15)10-11-19(18)26-24(22)23(27-28-25)21-12-16-8-4-5-9-20(16)31-21/h1-13,26H,14H2,(H,28,29)
InChIKeyARXTVVRHJRBFBI-UHFFFAOYSA-N
XLogP5.40
TPSA83.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one?
The IUPAC name of 4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one (CID 135900475) is 4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one?
The canonical SMILES for 4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one is O=c1[nH]nc(-c2cc3ccccc3o2)c2[nH]c3ccc(OCc4ccccc4)cc3c12.
What is the InChIKey of 4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one?
The InChIKey is ARXTVVRHJRBFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3/c29-25-22-18-13-17(30-14-15-6-2-1-3-7-15)10-11-19(18)26-24(22)23(27-28-25)21-12-16-8-4-5-9-20(16)31-21/h1-13,26H,14H2,(H,28,29).
What are the key properties of 4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one?
4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one has a molecular weight of 407.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-8-phenylmethoxy-2,5-dihydropyridazino[4,5-b]indol-1-one is sourced from PubChem (CID 135900475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).