11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine

C19H28N2O — CID 53379646

IUPAC11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
SMILESCOCCN1CCCc2cc3c(c(C4CC4)c21)CCNCC3
InChIInChI=1S/C19H28N2O/c1-22-12-11-21-10-2-3-16-13-15-6-8-20-9-7-17(15)18(19(16)21)14-4-5-14/h13-14,20H,2-12H2,1H3
InChIKeyIUTRPZKFCZHOCC-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.65
Rot. Bonds4

About 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine

11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine (PubChem CID 53379646) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine.

Molecular Properties

Compound Name11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
PubChem CID53379646
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
SMILESCOCCN1CCCc2cc3c(c(C4CC4)c21)CCNCC3
InChIInChI=1S/C19H28N2O/c1-22-12-11-21-10-2-3-16-13-15-6-8-20-9-7-17(15)18(19(16)21)14-4-5-14/h13-14,20H,2-12H2,1H3
InChIKeyIUTRPZKFCZHOCC-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine with MolForge

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Related Compounds

N-methyl-4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)aniline
CID 44383792
1-(2-Methoxyethyl)-11-(trifluoromethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
CID 58494736
11-(3-Fluorophenyl)-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
CID 58494918
1-(3-Fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
CID 58495368
3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline
CID 70883468
3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline
CID 70883520
3-fluoro-N-[[8-methyl-1-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline
CID 70883523
2,2,2-trifluoro-1-[1-(2-methoxyethyl)-11-(trifluoromethyl)-1,2,3,4,6,7,9,10-octahydro-8H-azepino[4,5-g]quinoline-8-yl]ethanone
CID 86658948
11-[(3Z,5E)-6-fluorohepta-1,3,5-trien-2-yl]-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
CID 144249134
N-[2-[1-(2-methoxyethyl)-6-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-quinolin-7-yl]ethyl]prop-2-yn-1-amine
CID 144249141
3-[(3R)-3-(aminomethyl)-3-fluoro-1-(2-methoxyethyl)-2,4-dihydroquinolin-7-yl]-N-[(3E)-6-fluoro-6-methyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-yl]-4-methylaniline
CID 166656643
2-Fluoro-8-methyl-1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepine
CID 144089851

Frequently Asked Questions

What is the IUPAC name of 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
The IUPAC name of 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine (CID 53379646) is 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine.
What is the SMILES notation for 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
The canonical SMILES for 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine is COCCN1CCCc2cc3c(c(C4CC4)c21)CCNCC3.
What is the InChIKey of 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
The InChIKey is IUTRPZKFCZHOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-22-12-11-21-10-2-3-16-13-15-6-8-20-9-7-17(15)18(19(16)21)14-4-5-14/h13-14,20H,2-12H2,1H3.
What are the key properties of 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine has a molecular weight of 300.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclopropyl-1-(2-methoxyethyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine is sourced from PubChem (CID 53379646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).