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

C24H28N2O — CID 43817737

IUPAC10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCCc1cccc2cc3c(nc12)OC(C)CN(CCCc1ccccc1)C3
InChIInChI=1S/C24H28N2O/c1-3-20-12-7-13-21-15-22-17-26(14-8-11-19-9-5-4-6-10-19)16-18(2)27-24(22)25-23(20)21/h4-7,9-10,12-13,15,18H,3,8,11,14,16-17H2,1-2H3
InChIKeyWXQXZEDADFVFND-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.01
Rot. Bonds5

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

10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 43817737) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID43817737
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCCc1cccc2cc3c(nc12)OC(C)CN(CCCc1ccccc1)C3
InChIInChI=1S/C24H28N2O/c1-3-20-12-7-13-21-15-22-17-26(14-8-11-19-9-5-4-6-10-19)16-18(2)27-24(22)25-23(20)21/h4-7,9-10,12-13,15,18H,3,8,11,14,16-17H2,1-2H3
InChIKeyWXQXZEDADFVFND-UHFFFAOYSA-N
XLogP5.01
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 43817737) is 10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is CCc1cccc2cc3c(nc12)OC(C)CN(CCCc1ccccc1)C3.
What is the InChIKey of 10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is WXQXZEDADFVFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-3-20-12-7-13-21-15-22-17-26(14-8-11-19-9-5-4-6-10-19)16-18(2)27-24(22)25-23(20)21/h4-7,9-10,12-13,15,18H,3,8,11,14,16-17H2,1-2H3.
What are the key properties of 10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 360.50 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 43817737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).