1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone

C25H16ClNO3 — CID 169092939

IUPAC1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone
SMILESO=C(c1ccc2occc2c1)c1cnc2cc(OCc3ccccc3)ccc2c1Cl
InChIInChI=1S/C25H16ClNO3/c26-24-20-8-7-19(30-15-16-4-2-1-3-5-16)13-22(20)27-14-21(24)25(28)18-6-9-23-17(12-18)10-11-29-23/h1-14H,15H2
InChIKeyNECYJHKGYFNSBK-UHFFFAOYSA-N
MW413.86 g/mol
LogP6.44
Rot. Bonds5

About 1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone

1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone (PubChem CID 169092939) has the molecular formula C25H16ClNO3 and a molecular weight of 413.86 g/mol. Its IUPAC name is 1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone
PubChem CID169092939
Molecular FormulaC25H16ClNO3
Molecular Weight413.86 g/mol
Exact Mass413.08
IUPAC Name1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone
SMILESO=C(c1ccc2occc2c1)c1cnc2cc(OCc3ccccc3)ccc2c1Cl
InChIInChI=1S/C25H16ClNO3/c26-24-20-8-7-19(30-15-16-4-2-1-3-5-16)13-22(20)27-14-21(24)25(28)18-6-9-23-17(12-18)10-11-29-23/h1-14H,15H2
InChIKeyNECYJHKGYFNSBK-UHFFFAOYSA-N
XLogP6.44
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.86
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone?
The IUPAC name of 1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone (CID 169092939) is 1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone.
What is the SMILES notation for 1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone?
The canonical SMILES for 1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone is O=C(c1ccc2occc2c1)c1cnc2cc(OCc3ccccc3)ccc2c1Cl.
What is the InChIKey of 1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone?
The InChIKey is NECYJHKGYFNSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClNO3/c26-24-20-8-7-19(30-15-16-4-2-1-3-5-16)13-22(20)27-14-21(24)25(28)18-6-9-23-17(12-18)10-11-29-23/h1-14H,15H2.
What are the key properties of 1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone?
1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone has a molecular weight of 413.86 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone is sourced from PubChem (CID 169092939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).