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

C22H24N2O2 — CID 46950146

IUPAC4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCOc1ccc(CCN2CCOc3nc4c(C)cccc4cc3C2)cc1
InChIInChI=1S/C22H24N2O2/c1-16-4-3-5-18-14-19-15-24(12-13-26-22(19)23-21(16)18)11-10-17-6-8-20(25-2)9-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyMTTLOVBAYVPKSG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.99
Rot. Bonds4

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

4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 46950146) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID46950146
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCOc1ccc(CCN2CCOc3nc4c(C)cccc4cc3C2)cc1
InChIInChI=1S/C22H24N2O2/c1-16-4-3-5-18-14-19-15-24(12-13-26-22(19)23-21(16)18)11-10-17-6-8-20(25-2)9-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyMTTLOVBAYVPKSG-UHFFFAOYSA-N
XLogP3.99
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 46950146) is 4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is COc1ccc(CCN2CCOc3nc4c(C)cccc4cc3C2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is MTTLOVBAYVPKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-4-3-5-18-14-19-15-24(12-13-26-22(19)23-21(16)18)11-10-17-6-8-20(25-2)9-7-17/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 348.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 46950146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).