quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate

C19H13NO3 — CID 2223235

IUPACquinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)Oc2cccc3cccnc23)oc2ccccc12
InChIInChI=1S/C19H13NO3/c1-12-14-8-2-3-9-15(14)22-18(12)19(21)23-16-10-4-6-13-7-5-11-20-17(13)16/h2-11H,1H3
InChIKeyOZEQDXINQQVVJZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.51
Rot. Bonds2

About quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate

quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2223235) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate
PubChem CID2223235
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Namequinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)Oc2cccc3cccnc23)oc2ccccc12
InChIInChI=1S/C19H13NO3/c1-12-14-8-2-3-9-15(14)22-18(12)19(21)23-16-10-4-6-13-7-5-11-20-17(13)16/h2-11H,1H3
InChIKeyOZEQDXINQQVVJZ-UHFFFAOYSA-N
XLogP4.51
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate (CID 2223235) is quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)Oc2cccc3cccnc23)oc2ccccc12.
What is the InChIKey of quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is OZEQDXINQQVVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c1-12-14-8-2-3-9-15(14)22-18(12)19(21)23-16-10-4-6-13-7-5-11-20-17(13)16/h2-11H,1H3.
What are the key properties of quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate?
quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2223235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).