1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea

C18H15Cl2N3O — CID 10406200

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea
SMILESO=C(NCCc1ccc(Cl)cc1Cl)Nc1cccc2cnccc12
InChIInChI=1S/C18H15Cl2N3O/c19-14-5-4-12(16(20)10-14)6-9-22-18(24)23-17-3-1-2-13-11-21-8-7-15(13)17/h1-5,7-8,10-11H,6,9H2,(H2,22,23,24)
InChIKeyOCDTUKQPCVNPEG-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.91
Rot. Bonds4

About 1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea

1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea (PubChem CID 10406200) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea
PubChem CID10406200
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea
SMILESO=C(NCCc1ccc(Cl)cc1Cl)Nc1cccc2cnccc12
InChIInChI=1S/C18H15Cl2N3O/c19-14-5-4-12(16(20)10-14)6-9-22-18(24)23-17-3-1-2-13-11-21-8-7-15(13)17/h1-5,7-8,10-11H,6,9H2,(H2,22,23,24)
InChIKeyOCDTUKQPCVNPEG-UHFFFAOYSA-N
XLogP4.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,4-dichlorophenyl)ethyl]-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

Related Compounds

2-(3,4-dichlorophenyl)ethanamine;1-[2-(3,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea
CID 159630910
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972
1-[(3-chloro-4-fluorophenyl)methyl]-3-isoquinolin-5-ylurea
CID 11255965
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
(3,4-dichlorophenyl)methanamine;1-[(3,4-dichlorophenyl)methyl]-3-isoquinolin-5-ylurea
CID 157232637
3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
CID 29372808
N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108991040
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490
1-[2-(3-azabicyclo[3.1.0]hexane-6-carbonyl)-5-chlorophenyl]-3-isoquinolin-5-ylurea
CID 69186040
5-chloro-2-(isoquinolin-5-ylamino)benzoic acid
CID 63537323
1-isoquinolin-5-yl-3-[(3-methylphenyl)methyl]urea
CID 10334463

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea (CID 10406200) is 1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea is O=C(NCCc1ccc(Cl)cc1Cl)Nc1cccc2cnccc12.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea?
The InChIKey is OCDTUKQPCVNPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c19-14-5-4-12(16(20)10-14)6-9-22-18(24)23-17-3-1-2-13-11-21-8-7-15(13)17/h1-5,7-8,10-11H,6,9H2,(H2,22,23,24).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea?
1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea has a molecular weight of 360.24 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea is sourced from PubChem (CID 10406200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).