3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea

C26H24ClN3O3 — CID 1430688

IUPAC3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C26H24ClN3O3/c1-33-23-11-12-24-20(14-23)13-21(25(31)29-24)17-30(16-19-7-9-22(27)10-8-19)26(32)28-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H,28,32)(H,29,31)
InChIKeyQEVJPYZLRORCAL-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.10
Rot. Bonds7

About 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea

3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1430688) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID1430688
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C26H24ClN3O3/c1-33-23-11-12-24-20(14-23)13-21(25(31)29-24)17-30(16-19-7-9-22(27)10-8-19)26(32)28-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H,28,32)(H,29,31)
InChIKeyQEVJPYZLRORCAL-UHFFFAOYSA-N
XLogP5.10
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea with MolForge

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Related Compounds

3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]urea
CID 1430672
3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea
CID 1430695
1-[(4-fluorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430675
3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea
CID 1437384
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449539
2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459108
3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one
CID 18525193
3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]urea
CID 1462434
1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430936
1-benzyl-3-butyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3172257
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459110
N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193943

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1430688) is 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea is COc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)NCc3ccccc3)cc2c1.
What is the InChIKey of 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is QEVJPYZLRORCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-33-23-11-12-24-20(14-23)13-21(25(31)29-24)17-30(16-19-7-9-22(27)10-8-19)26(32)28-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 461.95 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1430688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).