1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C22H27N3O — CID 50744738

IUPAC1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCCN1CCc2ccccc2C1)Nc1cccc2c1CCCC2
InChIInChI=1S/C22H27N3O/c26-22(24-21-11-5-9-18-7-3-4-10-20(18)21)23-13-15-25-14-12-17-6-1-2-8-19(17)16-25/h1-2,5-6,8-9,11H,3-4,7,10,12-16H2,(H2,23,24,26)
InChIKeyQUAAEOBGHBTUFG-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.75
Rot. Bonds4

About 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 50744738) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID50744738
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCCN1CCc2ccccc2C1)Nc1cccc2c1CCCC2
InChIInChI=1S/C22H27N3O/c26-22(24-21-11-5-9-18-7-3-4-10-20(18)21)23-13-15-25-14-12-17-6-1-2-8-19(17)16-25/h1-2,5-6,8-9,11H,3-4,7,10,12-16H2,(H2,23,24,26)
InChIKeyQUAAEOBGHBTUFG-UHFFFAOYSA-N
XLogP3.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea 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

(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 107837911
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 112824597
1-[2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 91644229
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea
CID 78879918
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111536531
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 118789794
N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide
CID 86856703
1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850099
1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
CID 72887082
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 43834022
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-ethoxy-3-methylphenyl)urea
CID 86847003

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 50744738) is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(NCCN1CCc2ccccc2C1)Nc1cccc2c1CCCC2.
What is the InChIKey of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is QUAAEOBGHBTUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(24-21-11-5-9-18-7-3-4-10-20(18)21)23-13-15-25-14-12-17-6-1-2-8-19(17)16-25/h1-2,5-6,8-9,11H,3-4,7,10,12-16H2,(H2,23,24,26).
What are the key properties of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 349.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 50744738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).