(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone

C18H19NO — CID 168898310

IUPAC(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
SMILESCCc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C18H19NO/c1-2-14-8-9-15-10-11-19(13-17(15)12-14)18(20)16-6-4-3-5-7-16/h3-9,12H,2,10-11,13H2,1H3
InChIKeySLIGBHDSMAOVKF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.45
Rot. Bonds2

About (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone

(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone (PubChem CID 168898310) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
PubChem CID168898310
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
SMILESCCc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C18H19NO/c1-2-14-8-9-15-10-11-19(13-17(15)12-14)18(20)16-6-4-3-5-7-16/h3-9,12H,2,10-11,13H2,1H3
InChIKeySLIGBHDSMAOVKF-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 28707219
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-ethylphenoxy)acetamide
CID 16943689
[7-(1-hydroxybutyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
CID 82175757
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
5-ethyl-1,3-dihydroisoindole-2-carboxylic acid
CID 143402726
7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 168897972
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16944293
2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 16944328
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,4-diethoxybenzamide
CID 16943640
N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]acetamide
CID 18108201

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The IUPAC name of (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone (CID 168898310) is (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone.
What is the SMILES notation for (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The canonical SMILES for (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone is CCc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2.
What is the InChIKey of (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The InChIKey is SLIGBHDSMAOVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-14-8-9-15-10-11-19(13-17(15)12-14)18(20)16-6-4-3-5-7-16/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone has a molecular weight of 265.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone is sourced from PubChem (CID 168898310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).