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

C26H24N2O — CID 43817749

IUPAC4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCc1cccc2cc3c(nc12)OC(c1ccccc1)CN(Cc1ccccc1)C3
InChIInChI=1S/C26H24N2O/c1-19-9-8-14-22-15-23-17-28(16-20-10-4-2-5-11-20)18-24(21-12-6-3-7-13-21)29-26(23)27-25(19)22/h2-15,24H,16-18H2,1H3
InChIKeyKUMFVXMMMKWOLG-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.68
Rot. Bonds3

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

4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 43817749) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID43817749
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCc1cccc2cc3c(nc12)OC(c1ccccc1)CN(Cc1ccccc1)C3
InChIInChI=1S/C26H24N2O/c1-19-9-8-14-22-15-23-17-28(16-20-10-4-2-5-11-20)18-24(21-12-6-3-7-13-21)29-26(23)27-25(19)22/h2-15,24H,16-18H2,1H3
InChIKeyKUMFVXMMMKWOLG-UHFFFAOYSA-N
XLogP5.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 43817749) is 4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is Cc1cccc2cc3c(nc12)OC(c1ccccc1)CN(Cc1ccccc1)C3.
What is the InChIKey of 4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is KUMFVXMMMKWOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-19-9-8-14-22-15-23-17-28(16-20-10-4-2-5-11-20)18-24(21-12-6-3-7-13-21)29-26(23)27-25(19)22/h2-15,24H,16-18H2,1H3.
What are the key properties of 4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 380.49 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 43817749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).