N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide

C26H22N2O2 — CID 10692025

IUPACN-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc2ccccc2c2c1OCCc1ccccc1-2
InChIInChI=1S/C26H22N2O2/c1-28(17-18-9-3-2-4-10-18)26(29)24-25-23(21-13-7-8-14-22(21)27-24)20-12-6-5-11-19(20)15-16-30-25/h2-14H,15-17H2,1H3
InChIKeyXZAQJVWXRQZEEN-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.11
Rot. Bonds3

About N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide

N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide (PubChem CID 10692025) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide
PubChem CID10692025
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC NameN-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc2ccccc2c2c1OCCc1ccccc1-2
InChIInChI=1S/C26H22N2O2/c1-28(17-18-9-3-2-4-10-18)26(29)24-25-23(21-13-7-8-14-22(21)27-24)20-12-6-5-11-19(20)15-16-30-25/h2-14H,15-17H2,1H3
InChIKeyXZAQJVWXRQZEEN-UHFFFAOYSA-N
XLogP5.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide?
The IUPAC name of N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide (CID 10692025) is N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide is CN(Cc1ccccc1)C(=O)c1nc2ccccc2c2c1OCCc1ccccc1-2.
What is the InChIKey of N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide?
The InChIKey is XZAQJVWXRQZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-28(17-18-9-3-2-4-10-18)26(29)24-25-23(21-13-7-8-14-22(21)27-24)20-12-6-5-11-19(20)15-16-30-25/h2-14H,15-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide?
N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-8,9-dihydro-[3]benzoxepino[4,5-c]quinoline-6-carboxamide is sourced from PubChem (CID 10692025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).