methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate

C26H18ClNO4 — CID 22922169

IUPACmethyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate
SMILESCOC(=O)c1ccccc1COc1ccc2oc(-c3ccc4ccc(Cl)cc4n3)cc2c1
InChIInChI=1S/C26H18ClNO4/c1-30-26(29)21-5-3-2-4-17(21)15-31-20-9-11-24-18(12-20)13-25(32-24)22-10-7-16-6-8-19(27)14-23(16)28-22/h2-14H,15H2,1H3
InChIKeyPQGCOTJBSWUKJK-UHFFFAOYSA-N
MW443.89 g/mol
LogP6.67
Rot. Bonds5

About methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate

methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate (PubChem CID 22922169) has the molecular formula C26H18ClNO4 and a molecular weight of 443.89 g/mol. Its IUPAC name is methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate
PubChem CID22922169
Molecular FormulaC26H18ClNO4
Molecular Weight443.89 g/mol
Exact Mass443.09
IUPAC Namemethyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate
SMILESCOC(=O)c1ccccc1COc1ccc2oc(-c3ccc4ccc(Cl)cc4n3)cc2c1
InChIInChI=1S/C26H18ClNO4/c1-30-26(29)21-5-3-2-4-17(21)15-31-20-9-11-24-18(12-20)13-25(32-24)22-10-7-16-6-8-19(27)14-23(16)28-22/h2-14H,15H2,1H3
InChIKeyPQGCOTJBSWUKJK-UHFFFAOYSA-N
XLogP6.67
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.89
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate with MolForge

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Related Compounds

2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile
CID 23192723
methyl 3-[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]-2,2-dimethylpropanoate
CID 22922190
7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline
CID 67690189
methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241371
2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxy]-3-methylbenzonitrile
CID 22922149
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
methyl 3-[(7-oxophenoxazin-3-yl)oxymethyl]benzoate
CID 176797652
methyl 2-[2-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-oxopropyl]benzoate
CID 123293527
methyl 2-[(3S)-3-[2-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]benzoate
CID 67744067
2-acetyl-5-[(2-methoxycarbonylphenyl)methoxy]benzoic acid
CID 91863774
methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 82975676
methyl 5-chloro-2-[(3R)-3-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-hydroxypropyl]benzoate
CID 10743848

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate?
The IUPAC name of methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate (CID 22922169) is methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate.
What is the SMILES notation for methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate?
The canonical SMILES for methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate is COC(=O)c1ccccc1COc1ccc2oc(-c3ccc4ccc(Cl)cc4n3)cc2c1.
What is the InChIKey of methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate?
The InChIKey is PQGCOTJBSWUKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClNO4/c1-30-26(29)21-5-3-2-4-17(21)15-31-20-9-11-24-18(12-20)13-25(32-24)22-10-7-16-6-8-19(27)14-23(16)28-22/h2-14H,15H2,1H3.
What are the key properties of methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate?
methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate has a molecular weight of 443.89 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate is sourced from PubChem (CID 22922169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).