3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione

C15H15NO4 — CID 155926127

IUPAC3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione
SMILESCOc1ccc2c(c1)CCCN2c1c(OC)c(=O)c1=O
InChIInChI=1S/C15H15NO4/c1-19-10-5-6-11-9(8-10)4-3-7-16(11)12-13(17)14(18)15(12)20-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyUFAACMFDZKTZKP-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.38
Rot. Bonds3

About 3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione

3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione (PubChem CID 155926127) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione
PubChem CID155926127
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione
SMILESCOc1ccc2c(c1)CCCN2c1c(OC)c(=O)c1=O
InChIInChI=1S/C15H15NO4/c1-19-10-5-6-11-9(8-10)4-3-7-16(11)12-13(17)14(18)15(12)20-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyUFAACMFDZKTZKP-UHFFFAOYSA-N
XLogP1.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione (CID 155926127) is 3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione is COc1ccc2c(c1)CCCN2c1c(OC)c(=O)c1=O.
What is the InChIKey of 3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione?
The InChIKey is UFAACMFDZKTZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-10-5-6-11-9(8-10)4-3-7-16(11)12-13(17)14(18)15(12)20-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione?
3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione has a molecular weight of 273.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 155926127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).