3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one

C23H24N2O4 — CID 46959829

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one
SMILESCOc1ccc(CCN2Cc3cc4cc(C)cc(C)c4nc3OC2=O)cc1OC
InChIInChI=1S/C23H24N2O4/c1-14-9-15(2)21-17(10-14)12-18-13-25(23(26)29-22(18)24-21)8-7-16-5-6-19(27-3)20(11-16)28-4/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyDFGVNIBARCEWIP-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.43
Rot. Bonds5

About 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one

3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one (PubChem CID 46959829) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one
PubChem CID46959829
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one
SMILESCOc1ccc(CCN2Cc3cc4cc(C)cc(C)c4nc3OC2=O)cc1OC
InChIInChI=1S/C23H24N2O4/c1-14-9-15(2)21-17(10-14)12-18-13-25(23(26)29-22(18)24-21)8-7-16-5-6-19(27-3)20(11-16)28-4/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyDFGVNIBARCEWIP-UHFFFAOYSA-N
XLogP4.43
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one
CID 46959849
4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950155
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 117026469
6-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4648270
2-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 10859894
7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731729
3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 11109127
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106555784
1-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-3a,6-dihydro-3H-indole-2,5-dione
CID 101465772
6-methyl-4-phenyl-11-(2-pyridin-4-ylethyl)-13-oxa-2,4,5,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-12-one
CID 46962800
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950146

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one (CID 46959829) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one is COc1ccc(CCN2Cc3cc4cc(C)cc(C)c4nc3OC2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The InChIKey is DFGVNIBARCEWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-9-15(2)21-17(10-14)12-18-13-25(23(26)29-22(18)24-21)8-7-16-5-6-19(27-3)20(11-16)28-4/h5-6,9-12H,7-8,13H2,1-4H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one has a molecular weight of 392.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one is sourced from PubChem (CID 46959829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).