1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea

C23H19N3O — CID 50995965

IUPAC1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1-c1ccc2ccncc2c1
InChIInChI=1S/C23H19N3O/c1-16-7-10-21(26-23(27)25-20-5-3-2-4-6-20)14-22(16)18-9-8-17-11-12-24-15-19(17)13-18/h2-15H,1H3,(H2,25,26,27)
InChIKeyVECBJTAERVYWKR-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.85
Rot. Bonds3

About 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea

1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea (PubChem CID 50995965) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea
PubChem CID50995965
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1-c1ccc2ccncc2c1
InChIInChI=1S/C23H19N3O/c1-16-7-10-21(26-23(27)25-20-5-3-2-4-6-20)14-22(16)18-9-8-17-11-12-24-15-19(17)13-18/h2-15H,1H3,(H2,25,26,27)
InChIKeyVECBJTAERVYWKR-UHFFFAOYSA-N
XLogP5.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea 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-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide
CID 50995426
isoquinoline;N-phenylacetamide
CID 70376820
1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea
CID 143942930
N-(3-isoquinolin-7-yl-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 59438028
methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate
CID 24829474
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea
CID 58829478
ethyl 2-isoquinolin-7-yl-6-methylbenzoate
CID 23597517
1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea
CID 59212488

Frequently Asked Questions

What is the IUPAC name of 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea?
The IUPAC name of 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea (CID 50995965) is 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea?
The canonical SMILES for 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea is Cc1ccc(NC(=O)Nc2ccccc2)cc1-c1ccc2ccncc2c1.
What is the InChIKey of 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea?
The InChIKey is VECBJTAERVYWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-16-7-10-21(26-23(27)25-20-5-3-2-4-6-20)14-22(16)18-9-8-17-11-12-24-15-19(17)13-18/h2-15H,1H3,(H2,25,26,27).
What are the key properties of 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea?
1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea has a molecular weight of 353.43 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea is sourced from PubChem (CID 50995965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).