[7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone

C20H23NO2 — CID 82175773

IUPAC[7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone
SMILESCCC(O)c1ccc2c(c1)CN(C(=O)c1cccc(C)c1)CC2
InChIInChI=1S/C20H23NO2/c1-3-19(22)16-8-7-15-9-10-21(13-18(15)12-16)20(23)17-6-4-5-14(2)11-17/h4-8,11-12,19,22H,3,9-10,13H2,1-2H3
InChIKeyOWCFHPDEBWVVBS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.64
Rot. Bonds3

About [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone

[7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone (PubChem CID 82175773) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone
PubChem CID82175773
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone
SMILESCCC(O)c1ccc2c(c1)CN(C(=O)c1cccc(C)c1)CC2
InChIInChI=1S/C20H23NO2/c1-3-19(22)16-8-7-15-9-10-21(13-18(15)12-16)20(23)17-6-4-5-14(2)11-17/h4-8,11-12,19,22H,3,9-10,13H2,1-2H3
InChIKeyOWCFHPDEBWVVBS-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone 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-(1-hydroxybutyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
CID 82175757
1-[7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one
CID 82175702
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone
CID 91907650
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
1-[7-(1-hydroxypentyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one
CID 82175706
(3-chloro-5-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81041263
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 109062908
(3-aminophenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 60962963
1-[7-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one
CID 82175648
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
ethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168897909

Frequently Asked Questions

What is the IUPAC name of [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone?
The IUPAC name of [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone (CID 82175773) is [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone is CCC(O)c1ccc2c(c1)CN(C(=O)c1cccc(C)c1)CC2.
What is the InChIKey of [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone?
The InChIKey is OWCFHPDEBWVVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-19(22)16-8-7-15-9-10-21(13-18(15)12-16)20(23)17-6-4-5-14(2)11-17/h4-8,11-12,19,22H,3,9-10,13H2,1-2H3.
What are the key properties of [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone?
[7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 82175773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).