4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

C27H26N2O — CID 43817754

IUPAC4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCCc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CC(c1ccccc1)O3
InChIInChI=1S/C27H26N2O/c1-2-20-13-14-25-23(15-20)16-24-18-29(17-21-9-5-3-6-10-21)19-26(30-27(24)28-25)22-11-7-4-8-12-22/h3-16,26H,2,17-19H2,1H3
InChIKeyPGTXPSRZSXHHFR-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.93
Rot. Bonds4

About 4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 43817754) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID43817754
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCCc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CC(c1ccccc1)O3
InChIInChI=1S/C27H26N2O/c1-2-20-13-14-25-23(15-20)16-24-18-29(17-21-9-5-3-6-10-21)19-26(30-27(24)28-25)22-11-7-4-8-12-22/h3-16,26H,2,17-19H2,1H3
InChIKeyPGTXPSRZSXHHFR-UHFFFAOYSA-N
XLogP5.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-8-ethyl-2-phenyl-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
4-benzyl-2,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950064
4-benzyl-2-ethyl-7,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 43817724
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
4-benzyl-8,9-dimethoxy-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 92594461
(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 26348516
(3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine
CID 145294189
(3R,4S)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 167885486
2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 43817734
7-chloro-2-methyl-4-(quinolin-6-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 45199873
(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846809

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 43817754) is 4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is CCc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CC(c1ccccc1)O3.
What is the InChIKey of 4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is PGTXPSRZSXHHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-2-20-13-14-25-23(15-20)16-24-18-29(17-21-9-5-3-6-10-21)19-26(30-27(24)28-25)22-11-7-4-8-12-22/h3-16,26H,2,17-19H2,1H3.
What are the key properties of 4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 394.52 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-ethyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 43817754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).