4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

C24H28N2O3 — CID 46950155

IUPAC4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCOc1ccc(CCN2CCOc3nc4cc(C)c(C)cc4cc3C2)cc1OC
InChIInChI=1S/C24H28N2O3/c1-16-11-19-14-20-15-26(9-10-29-24(20)25-21(19)12-17(16)2)8-7-18-5-6-22(27-3)23(13-18)28-4/h5-6,11-14H,7-10,15H2,1-4H3
InChIKeyVNMARCNVZUKNPG-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.31
Rot. Bonds5

About 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 46950155) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID46950155
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCOc1ccc(CCN2CCOc3nc4cc(C)c(C)cc4cc3C2)cc1OC
InChIInChI=1S/C24H28N2O3/c1-16-11-19-14-20-15-26(9-10-29-24(20)25-21(19)12-17(16)2)8-7-18-5-6-22(27-3)23(13-18)28-4/h5-6,11-14H,7-10,15H2,1-4H3
InChIKeyVNMARCNVZUKNPG-UHFFFAOYSA-N
XLogP4.31
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline with MolForge

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Related Compounds

4-benzyl-8,9-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 92594461
4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950146
4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 95851930
4-[2-(2-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950148
4-[2-(2-methylphenyl)ethyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950167
7-(2-methoxyethyl)-4,14,16-trioxa-2,7-diazatetracyclo[9.7.0.03,9.013,17]octadeca-1,3(9),10,12,17-pentaene
CID 46958617
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]-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one
CID 46959829
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one
CID 46959849
2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dihydroisoindole-5-carbonitrile
CID 94778704

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 46950155) is 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is COc1ccc(CCN2CCOc3nc4cc(C)c(C)cc4cc3C2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is VNMARCNVZUKNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-11-19-14-20-15-26(9-10-29-24(20)25-21(19)12-17(16)2)8-7-18-5-6-22(27-3)23(13-18)28-4/h5-6,11-14H,7-10,15H2,1-4H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 392.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 46950155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).