6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one

C16H17NO4 — CID 2988534

IUPAC6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(C)o1)CC(=O)N2
InChIInChI=1S/C16H17NO4/c1-9-4-5-13(21-9)11-7-16(18)17-12-8-15(20-3)14(19-2)6-10(11)12/h4-6,8,11H,7H2,1-3H3,(H,17,18)
InChIKeyUCYSIOYSOBXRAJ-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.08
Rot. Bonds3

About 6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one

6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2988534) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID2988534
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(C)o1)CC(=O)N2
InChIInChI=1S/C16H17NO4/c1-9-4-5-13(21-9)11-7-16(18)17-12-8-15(20-3)14(19-2)6-10(11)12/h4-6,8,11H,7H2,1-3H3,(H,17,18)
InChIKeyUCYSIOYSOBXRAJ-UHFFFAOYSA-N
XLogP3.08
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one (CID 2988534) is 6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1ccc(C)o1)CC(=O)N2.
What is the InChIKey of 6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UCYSIOYSOBXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9-4-5-13(21-9)11-7-16(18)17-12-8-15(20-3)14(19-2)6-10(11)12/h4-6,8,11H,7H2,1-3H3,(H,17,18).
What are the key properties of 6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2988534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).