1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C26H25N3O3 — CID 1449303

IUPAC1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C26H25N3O3/c1-18-12-13-20-15-21(25(30)27-23(20)14-18)17-29(16-19-8-4-3-5-9-19)26(31)28-22-10-6-7-11-24(22)32-2/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyGRBGHEUTRVEFGB-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.08
Rot. Bonds6

About 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1449303) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID1449303
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C26H25N3O3/c1-18-12-13-20-15-21(25(30)27-23(20)14-18)17-29(16-19-8-4-3-5-9-19)26(31)28-22-10-6-7-11-24(22)32-2/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyGRBGHEUTRVEFGB-UHFFFAOYSA-N
XLogP5.08
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-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

1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449331
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449352
1-benzyl-3-(2-fluorophenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449305
1-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
CID 1430433
1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467453
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(2-phenylethyl)urea
CID 1437316
1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1134227
3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methylphenyl)methyl]urea
CID 3194893
3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]urea
CID 1437534
1-[(4-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3195037
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 3194838
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 5095945

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1449303) is 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is GRBGHEUTRVEFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18-12-13-20-15-21(25(30)27-23(20)14-18)17-29(16-19-8-4-3-5-9-19)26(31)28-22-10-6-7-11-24(22)32-2/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 427.50 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1449303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).