6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one

C20H23NO4 — CID 3162399

IUPAC6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc2c(cc1OCC)C(c1ccccc1OC)CC(=O)N2
InChIInChI=1S/C20H23NO4/c1-4-24-18-10-15-14(13-8-6-7-9-17(13)23-3)11-20(22)21-16(15)12-19(18)25-5-2/h6-10,12,14H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyDTPYDDLRGCMBNN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.97
Rot. Bonds6

About 6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one

6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3162399) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID3162399
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc2c(cc1OCC)C(c1ccccc1OC)CC(=O)N2
InChIInChI=1S/C20H23NO4/c1-4-24-18-10-15-14(13-8-6-7-9-17(13)23-3)11-20(22)21-16(15)12-19(18)25-5-2/h6-10,12,14H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyDTPYDDLRGCMBNN-UHFFFAOYSA-N
XLogP3.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 3162399) is 6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one is CCOc1cc2c(cc1OCC)C(c1ccccc1OC)CC(=O)N2.
What is the InChIKey of 6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DTPYDDLRGCMBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-24-18-10-15-14(13-8-6-7-9-17(13)23-3)11-20(22)21-16(15)12-19(18)25-5-2/h6-10,12,14H,4-5,11H2,1-3H3,(H,21,22).
What are the key properties of 6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3162399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).