6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one

C20H23NO4 — CID 2898111

IUPAC6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(=O)Nc3cc(C)c(C)cc32)c(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-11-8-15-14(10-18(22)21-16(15)9-12(11)2)13-6-7-17(23-3)20(25-5)19(13)24-4/h6-9,14H,10H2,1-5H3,(H,21,22)
InChIKeyLCPRBMFHZAGOIJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.80
Rot. Bonds4

About 6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one

6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2898111) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID2898111
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(=O)Nc3cc(C)c(C)cc32)c(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-11-8-15-14(10-18(22)21-16(15)9-12(11)2)13-6-7-17(23-3)20(25-5)19(13)24-4/h6-9,14H,10H2,1-5H3,(H,21,22)
InChIKeyLCPRBMFHZAGOIJ-UHFFFAOYSA-N
XLogP3.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 2898111) is 6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one is COc1ccc(C2CC(=O)Nc3cc(C)c(C)cc32)c(OC)c1OC.
What is the InChIKey of 6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LCPRBMFHZAGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-11-8-15-14(10-18(22)21-16(15)9-12(11)2)13-6-7-17(23-3)20(25-5)19(13)24-4/h6-9,14H,10H2,1-5H3,(H,21,22).
What are the key properties of 6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2898111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).