1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea

C25H23N3O2 — CID 15337407

IUPAC1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCc2c(-c3ccccc3)c3ccccc3c(=O)n2C)c1
InChIInChI=1S/C25H23N3O2/c1-17-9-8-12-19(15-17)27-25(30)26-16-22-23(18-10-4-3-5-11-18)20-13-6-7-14-21(20)24(29)28(22)2/h3-15H,16H2,1-2H3,(H2,26,27,30)
InChIKeyDFTCWXWVILSEOH-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.84
Rot. Bonds4

About 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea

1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea (PubChem CID 15337407) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea
PubChem CID15337407
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCc2c(-c3ccccc3)c3ccccc3c(=O)n2C)c1
InChIInChI=1S/C25H23N3O2/c1-17-9-8-12-19(15-17)27-25(30)26-16-22-23(18-10-4-3-5-11-18)20-13-6-7-14-21(20)24(29)28(22)2/h3-15H,16H2,1-2H3,(H2,26,27,30)
InChIKeyDFTCWXWVILSEOH-UHFFFAOYSA-N
XLogP4.84
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea with MolForge

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]urea;hydrochloride
CID 22401309
1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-[3-(ethylaminomethyl)phenyl]urea;hydrochloride
CID 22401311
4-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoylamino]benzoic acid
CID 22401332
1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-[3-[2-(ethylamino)ethyl]phenyl]urea
CID 139653196
1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-[3-[3-(dimethylamino)propyl]phenyl]urea
CID 22401371
1-(1-amino-2,3-dihydro-1H-inden-5-yl)-3-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]urea
CID 22401320
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-(3-methylphenyl)-3-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049708
1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea
CID 75444052
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea (CID 15337407) is 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCc2c(-c3ccccc3)c3ccccc3c(=O)n2C)c1.
What is the InChIKey of 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea?
The InChIKey is DFTCWXWVILSEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-9-8-12-19(15-17)27-25(30)26-16-22-23(18-10-4-3-5-11-18)20-13-6-7-14-21(20)24(29)28(22)2/h3-15H,16H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea?
1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea has a molecular weight of 397.48 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 15337407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).