5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C24H17ClN4O3 — CID 71621691

IUPAC5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(Cl)cc4[nH]3)ccnc2N1
InChIInChI=1S/C24H17ClN4O3/c25-11-1-4-15-16(9-11)28-24(27-15)21-20-14-10-12(2-5-17(14)32-22(20)21)31-18-7-8-26-23-13(18)3-6-19(30)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,28)(H,26,29,30)
InChIKeyQQVFDHSYAIQCPZ-UHFFFAOYSA-N
MW444.88 g/mol
LogP4.93
Rot. Bonds3

About 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71621691) has the molecular formula C24H17ClN4O3 and a molecular weight of 444.88 g/mol. Its IUPAC name is 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71621691
Molecular FormulaC24H17ClN4O3
Molecular Weight444.88 g/mol
Exact Mass444.10
IUPAC Name5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(Cl)cc4[nH]3)ccnc2N1
InChIInChI=1S/C24H17ClN4O3/c25-11-1-4-15-16(9-11)28-24(27-15)21-20-14-10-12(2-5-17(14)32-22(20)21)31-18-7-8-26-23-13(18)3-6-19(30)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,28)(H,26,29,30)
InChIKeyQQVFDHSYAIQCPZ-UHFFFAOYSA-N
XLogP4.93
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71621691) is 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(Cl)cc4[nH]3)ccnc2N1.
What is the InChIKey of 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is QQVFDHSYAIQCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O3/c25-11-1-4-15-16(9-11)28-24(27-15)21-20-14-10-12(2-5-17(14)32-22(20)21)31-18-7-8-26-23-13(18)3-6-19(30)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,28)(H,26,29,30).
What are the key properties of 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 444.88 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71621691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).