6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one

C20H18N2O4 — CID 4057847

IUPAC6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1cc(C)nc2ccccc12
InChIInChI=1S/C20H18N2O4/c1-11-10-15(12-6-4-5-7-14(12)21-11)22-19-13-8-9-16(24-2)18(25-3)17(13)20(23)26-19/h4-10,19H,1-3H3,(H,21,22)
InChIKeyNTRXCMBSTUNHLM-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.84
Rot. Bonds4

About 6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one

6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one (PubChem CID 4057847) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one
PubChem CID4057847
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1cc(C)nc2ccccc12
InChIInChI=1S/C20H18N2O4/c1-11-10-15(12-6-4-5-7-14(12)21-11)22-19-13-8-9-16(24-2)18(25-3)17(13)20(23)26-19/h4-10,19H,1-3H3,(H,21,22)
InChIKeyNTRXCMBSTUNHLM-UHFFFAOYSA-N
XLogP3.84
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one?
The IUPAC name of 6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one (CID 4057847) is 6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one?
The canonical SMILES for 6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)OC2Nc1cc(C)nc2ccccc12.
What is the InChIKey of 6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one?
The InChIKey is NTRXCMBSTUNHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-11-10-15(12-6-4-5-7-14(12)21-11)22-19-13-8-9-16(24-2)18(25-3)17(13)20(23)26-19/h4-10,19H,1-3H3,(H,21,22).
What are the key properties of 6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one?
6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one has a molecular weight of 350.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[(2-methylquinolin-4-yl)amino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 4057847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).