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

C25H25N3O3 — CID 30376599

IUPAC1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C25H25N3O3/c1-2-31-23-11-7-6-10-21(23)27-25(30)26-20-13-14-22-19(16-20)12-15-24(29)28(22)17-18-8-4-3-5-9-18/h3-11,13-14,16H,2,12,15,17H2,1H3,(H2,26,27,30)
InChIKeyHNBKONXNVKEDHX-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.21
Rot. Bonds6

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

1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea (PubChem CID 30376599) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea
PubChem CID30376599
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C25H25N3O3/c1-2-31-23-11-7-6-10-21(23)27-25(30)26-20-13-14-22-19(16-20)12-15-24(29)28(22)17-18-8-4-3-5-9-18/h3-11,13-14,16H,2,12,15,17H2,1H3,(H2,26,27,30)
InChIKeyHNBKONXNVKEDHX-UHFFFAOYSA-N
XLogP5.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide
CID 16926889
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)-4-propan-2-yloxybenzamide
CID 16926847
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
CID 30376456

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea (CID 30376599) is 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea?
The InChIKey is HNBKONXNVKEDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-31-23-11-7-6-10-21(23)27-25(30)26-20-13-14-22-19(16-20)12-15-24(29)28(22)17-18-8-4-3-5-9-18/h3-11,13-14,16H,2,12,15,17H2,1H3,(H2,26,27,30).
What are the key properties of 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea?
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea has a molecular weight of 415.49 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 30376599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).