2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

C22H24N2O — CID 43817734

IUPAC2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCc1cccc2cc3c(nc12)OC(C)CN(CCc1ccccc1)C3
InChIInChI=1S/C22H24N2O/c1-16-7-6-10-19-13-20-15-24(12-11-18-8-4-3-5-9-18)14-17(2)25-22(20)23-21(16)19/h3-10,13,17H,11-12,14-15H2,1-2H3
InChIKeyJVSBSXSTLCSGEL-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.37
Rot. Bonds3

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

2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 43817734) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID43817734
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCc1cccc2cc3c(nc12)OC(C)CN(CCc1ccccc1)C3
InChIInChI=1S/C22H24N2O/c1-16-7-6-10-19-13-20-15-24(12-11-18-8-4-3-5-9-18)14-17(2)25-22(20)23-21(16)19/h3-10,13,17H,11-12,14-15H2,1-2H3
InChIKeyJVSBSXSTLCSGEL-UHFFFAOYSA-N
XLogP4.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 43817734) is 2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is Cc1cccc2cc3c(nc12)OC(C)CN(CCc1ccccc1)C3.
What is the InChIKey of 2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is JVSBSXSTLCSGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-7-6-10-19-13-20-15-24(12-11-18-8-4-3-5-9-18)14-17(2)25-22(20)23-21(16)19/h3-10,13,17H,11-12,14-15H2,1-2H3.
What are the key properties of 2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 332.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 43817734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).