1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea

C23H19Cl2N3O2 — CID 30376488

IUPAC1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C23H19Cl2N3O2/c24-19-9-7-18(13-20(19)25)27-23(30)26-17-8-10-21-16(12-17)6-11-22(29)28(21)14-15-4-2-1-3-5-15/h1-5,7-10,12-13H,6,11,14H2,(H2,26,27,30)
InChIKeyAATBHEUCDAKTOS-UHFFFAOYSA-N
MW440.33 g/mol
LogP6.12
Rot. Bonds4

About 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea

1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea (PubChem CID 30376488) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
PubChem CID30376488
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC Name1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C23H19Cl2N3O2/c24-19-9-7-18(13-20(19)25)27-23(30)26-17-8-10-21-16(12-17)6-11-22(29)28(21)14-15-4-2-1-3-5-15/h1-5,7-10,12-13H,6,11,14H2,(H2,26,27,30)
InChIKeyAATBHEUCDAKTOS-UHFFFAOYSA-N
XLogP6.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea
CID 30376599
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376030
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926847
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide
CID 16926904
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide
CID 16926877
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide
CID 16926889

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea (CID 30376488) is 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is AATBHEUCDAKTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c24-19-9-7-18(13-20(19)25)27-23(30)26-17-8-10-21-16(12-17)6-11-22(29)28(21)14-15-4-2-1-3-5-15/h1-5,7-10,12-13H,6,11,14H2,(H2,26,27,30).
What are the key properties of 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea?
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 440.33 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 30376488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).