3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea

C19H18FN3O2 — CID 151009430

IUPAC3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea
SMILESCc1cc(NC(=O)N(C)Cc2c[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C19H18FN3O2/c1-12-9-14(7-8-17(12)20)22-19(25)23(2)11-13-10-21-18(24)16-6-4-3-5-15(13)16/h3-10H,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLVTXCXKZUBOPGK-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.64
Rot. Bonds3

About 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea

3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea (PubChem CID 151009430) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea
PubChem CID151009430
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea
SMILESCc1cc(NC(=O)N(C)Cc2c[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C19H18FN3O2/c1-12-9-14(7-8-17(12)20)22-19(25)23(2)11-13-10-21-18(24)16-6-4-3-5-15(13)16/h3-10H,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLVTXCXKZUBOPGK-UHFFFAOYSA-N
XLogP3.64
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]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

3-(3-chloro-4-fluorophenyl)-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]-1-propylurea
CID 150430376
3-(3-chloro-4-methylphenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 2476713
1-methyl-3-(5-methyl-6-oxo-1H-pyridin-3-yl)-1-[(3,4,5-trifluorophenyl)methyl]urea
CID 75472619
1-[(1R)-1-(7,8-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-3-(4-fluoro-3-methylphenyl)-1-methylurea
CID 150968533
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86988105
3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 24528585
3-(3-chloro-4-fluorophenyl)-1-[(1-ethylpiperidin-4-yl)methyl]-1-[2-(1-oxo-2H-isoquinolin-4-yl)ethyl]urea
CID 154929690
1-(3-aminopropyl)-3-(3-chloro-4-fluorophenyl)-1-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]urea
CID 151641819
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
3-(3-chloro-4-fluorophenyl)-1-[(4-hydroxycyclohexyl)methyl]-1-[2-(1-oxo-2H-isoquinolin-4-yl)ethyl]urea
CID 154929473
3-(3-chloro-4-fluorophenyl)-1-[(1S)-1-(1-oxo-2H-isoquinolin-4-yl)ethyl]-1-propylurea
CID 154929546
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea (CID 151009430) is 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea is Cc1cc(NC(=O)N(C)Cc2c[nH]c(=O)c3ccccc23)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea?
The InChIKey is LVTXCXKZUBOPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-9-14(7-8-17(12)20)22-19(25)23(2)11-13-10-21-18(24)16-6-4-3-5-15(13)16/h3-10H,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea?
3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea has a molecular weight of 339.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-1-methyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea is sourced from PubChem (CID 151009430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).