7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline

C25H16ClN5O2 — CID 67690189

IUPAC7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline
SMILESClc1ccc2ccc(-c3cc4cc(OCc5ccc(-c6nn[nH]n6)cc5)ccc4o3)nc2c1
InChIInChI=1S/C25H16ClN5O2/c26-19-7-5-16-6-9-21(27-22(16)13-19)24-12-18-11-20(8-10-23(18)33-24)32-14-15-1-3-17(4-2-15)25-28-30-31-29-25/h1-13H,14H2,(H,28,29,30,31)
InChIKeyRAZXZXFGDXYBNO-UHFFFAOYSA-N
MW453.89 g/mol
LogP6.06
Rot. Bonds5

About 7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline

7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline (PubChem CID 67690189) has the molecular formula C25H16ClN5O2 and a molecular weight of 453.89 g/mol. Its IUPAC name is 7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline.

Molecular Properties

Compound Name7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline
PubChem CID67690189
Molecular FormulaC25H16ClN5O2
Molecular Weight453.89 g/mol
Exact Mass453.10
IUPAC Name7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline
SMILESClc1ccc2ccc(-c3cc4cc(OCc5ccc(-c6nn[nH]n6)cc5)ccc4o3)nc2c1
InChIInChI=1S/C25H16ClN5O2/c26-19-7-5-16-6-9-21(27-22(16)13-19)24-12-18-11-20(8-10-23(18)33-24)32-14-15-1-3-17(4-2-15)25-28-30-31-29-25/h1-13H,14H2,(H,28,29,30,31)
InChIKeyRAZXZXFGDXYBNO-UHFFFAOYSA-N
XLogP6.06
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.89
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline?
The IUPAC name of 7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline (CID 67690189) is 7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline.
What is the SMILES notation for 7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline?
The canonical SMILES for 7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline is Clc1ccc2ccc(-c3cc4cc(OCc5ccc(-c6nn[nH]n6)cc5)ccc4o3)nc2c1.
What is the InChIKey of 7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline?
The InChIKey is RAZXZXFGDXYBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN5O2/c26-19-7-5-16-6-9-21(27-22(16)13-19)24-12-18-11-20(8-10-23(18)33-24)32-14-15-1-3-17(4-2-15)25-28-30-31-29-25/h1-13H,14H2,(H,28,29,30,31).
What are the key properties of 7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline?
7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline has a molecular weight of 453.89 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline is sourced from PubChem (CID 67690189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).