4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

C23H24N2O5 — CID 95851930

IUPAC4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCOc1ccc(OC)c2nc3c(cc12)CN(CCc1ccc2c(c1)OCO2)CCO3
InChIInChI=1S/C23H24N2O5/c1-26-18-5-6-20(27-2)22-17(18)12-16-13-25(9-10-28-23(16)24-22)8-7-15-3-4-19-21(11-15)30-14-29-19/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyUHQPDYCEDUWDRS-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.42
Rot. Bonds5

About 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 95851930) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID95851930
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCOc1ccc(OC)c2nc3c(cc12)CN(CCc1ccc2c(c1)OCO2)CCO3
InChIInChI=1S/C23H24N2O5/c1-26-18-5-6-20(27-2)22-17(18)12-16-13-25(9-10-28-23(16)24-22)8-7-15-3-4-19-21(11-15)30-14-29-19/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyUHQPDYCEDUWDRS-UHFFFAOYSA-N
XLogP3.42
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline 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

4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950155
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
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
2-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5-dimethoxyisoindole-1,3-dione
CID 53354868
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
6-[2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine
CID 171715543
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxolane-2-carboxamide
CID 42460475
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine
CID 24738725
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol
CID 82480573
4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950164
4-[2-[2-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5-dimethoxyphenyl]ethyl]benzoic acid
CID 171715619
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine;dihydrochloride
CID 66996145

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 95851930) is 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is COc1ccc(OC)c2nc3c(cc12)CN(CCc1ccc2c(c1)OCO2)CCO3.
What is the InChIKey of 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is UHQPDYCEDUWDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-26-18-5-6-20(27-2)22-17(18)12-16-13-25(9-10-28-23(16)24-22)8-7-15-3-4-19-21(11-15)30-14-29-19/h3-6,11-12H,7-10,13-14H2,1-2H3.
What are the key properties of 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 408.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzodioxol-5-yl)ethyl]-7,10-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 95851930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).