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

C23H26N2O — CID 43817724

IUPAC4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCCC1CN(Cc2ccccc2)Cc2cc3c(C)ccc(C)c3nc2O1
InChIInChI=1S/C23H26N2O/c1-4-20-15-25(13-18-8-6-5-7-9-18)14-19-12-21-16(2)10-11-17(3)22(21)24-23(19)26-20/h5-12,20H,4,13-15H2,1-3H3
InChIKeyMWGIWBHULNQAHW-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.02
Rot. Bonds3

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

4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 43817724) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID43817724
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCCC1CN(Cc2ccccc2)Cc2cc3c(C)ccc(C)c3nc2O1
InChIInChI=1S/C23H26N2O/c1-4-20-15-25(13-18-8-6-5-7-9-18)14-19-12-21-16(2)10-11-17(3)22(21)24-23(19)26-20/h5-12,20H,4,13-15H2,1-3H3
InChIKeyMWGIWBHULNQAHW-UHFFFAOYSA-N
XLogP5.02
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline with MolForge

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Related Compounds

4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 43817749
2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 43817734
4-benzyl-2,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950064
(2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 95852130
4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 43817754
4-benzyl-2-ethyl-6-methylmorpholine
CID 67357185
4-benzyl-8-methoxy-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950164
2-ethyl-7-methoxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 45169578
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
10-ethyl-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 43817737
2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine
CID 169082451
6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 123567925

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 43817724) is 4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is CCC1CN(Cc2ccccc2)Cc2cc3c(C)ccc(C)c3nc2O1.
What is the InChIKey of 4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is MWGIWBHULNQAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-4-20-15-25(13-18-8-6-5-7-9-18)14-19-12-21-16(2)10-11-17(3)22(21)24-23(19)26-20/h5-12,20H,4,13-15H2,1-3H3.
What are the key properties of 4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 346.47 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 43817724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).