4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

C21H22N2O2 — CID 46950164

IUPAC4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCOc1cc(C)c2nc3c(cc2c1)CN(Cc1ccccc1)CCO3
InChIInChI=1S/C21H22N2O2/c1-15-10-19(24-2)12-17-11-18-14-23(13-16-6-4-3-5-7-16)8-9-25-21(18)22-20(15)17/h3-7,10-12H,8-9,13-14H2,1-2H3
InChIKeyWTIIAJROUFUTMF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.95
Rot. Bonds3

About 4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 46950164) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID46950164
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCOc1cc(C)c2nc3c(cc2c1)CN(Cc1ccccc1)CCO3
InChIInChI=1S/C21H22N2O2/c1-15-10-19(24-2)12-17-11-18-14-23(13-16-6-4-3-5-7-16)8-9-25-21(18)22-20(15)17/h3-7,10-12H,8-9,13-14H2,1-2H3
InChIKeyWTIIAJROUFUTMF-UHFFFAOYSA-N
XLogP3.95
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-8-methoxy-10-methyl-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-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-(2-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950148
4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950155
6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 15690617
4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 43817724
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
4-[2-(2-methylphenyl)ethyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950167
4-[(4-chlorophenyl)methyl]-9-methoxy-7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 26358741
8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline
CID 18414092
8-benzyl-3-propan-2-ylsulfanyl-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
CID 66993310
4-benzyl-2-[(3-methyl-4-nitrophenoxy)methylidene]morpholine;hydrochloride
CID 70596929

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 46950164) is 4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is COc1cc(C)c2nc3c(cc2c1)CN(Cc1ccccc1)CCO3.
What is the InChIKey of 4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is WTIIAJROUFUTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-10-19(24-2)12-17-11-18-14-23(13-16-6-4-3-5-7-16)8-9-25-21(18)22-20(15)17/h3-7,10-12H,8-9,13-14H2,1-2H3.
What are the key properties of 4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 334.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 46950164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).