1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea

C20H22N4O — CID 24768204

IUPAC1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea
SMILESCN(C)CC(NC(=O)Nc1cccc2cnccc12)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-24(2)14-19(15-7-4-3-5-8-15)23-20(25)22-18-10-6-9-16-13-21-12-11-17(16)18/h3-13,19H,14H2,1-2H3,(H2,22,23,25)
InChIKeyFJLJJFVAWKDPIP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.66
Rot. Bonds5

About 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea

1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea (PubChem CID 24768204) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea
PubChem CID24768204
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea
SMILESCN(C)CC(NC(=O)Nc1cccc2cnccc12)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-24(2)14-19(15-7-4-3-5-8-15)23-20(25)22-18-10-6-9-16-13-21-12-11-17(16)18/h3-13,19H,14H2,1-2H3,(H2,22,23,25)
InChIKeyFJLJJFVAWKDPIP-UHFFFAOYSA-N
XLogP3.66
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea 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 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea?
The IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea (CID 24768204) is 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea?
The canonical SMILES for 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea is CN(C)CC(NC(=O)Nc1cccc2cnccc12)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea?
The InChIKey is FJLJJFVAWKDPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24(2)14-19(15-7-4-3-5-8-15)23-20(25)22-18-10-6-9-16-13-21-12-11-17(16)18/h3-13,19H,14H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea?
1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea has a molecular weight of 334.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-phenylethyl]-3-isoquinolin-5-ylurea is sourced from PubChem (CID 24768204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).