5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one

C22H27NO5 — CID 17122353

IUPAC5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1ccccc1OCC(C)C)CC(=O)N2
InChIInChI=1S/C22H27NO5/c1-13(2)12-28-17-9-7-6-8-14(17)15-10-19(24)23-16-11-18(25-3)21(26-4)22(27-5)20(15)16/h6-9,11,13,15H,10,12H2,1-5H3,(H,23,24)
InChIKeyDKGQEJHPWMODPJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.22
Rot. Bonds7

About 5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one

5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 17122353) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID17122353
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1ccccc1OCC(C)C)CC(=O)N2
InChIInChI=1S/C22H27NO5/c1-13(2)12-28-17-9-7-6-8-14(17)15-10-19(24)23-16-11-18(25-3)21(26-4)22(27-5)20(15)16/h6-9,11,13,15H,10,12H2,1-5H3,(H,23,24)
InChIKeyDKGQEJHPWMODPJ-UHFFFAOYSA-N
XLogP4.22
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 17122353) is 5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1OC)C(c1ccccc1OCC(C)C)CC(=O)N2.
What is the InChIKey of 5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DKGQEJHPWMODPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-13(2)12-28-17-9-7-6-8-14(17)15-10-19(24)23-16-11-18(25-3)21(26-4)22(27-5)20(15)16/h6-9,11,13,15H,10,12H2,1-5H3,(H,23,24).
What are the key properties of 5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 385.46 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 17122353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).