1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea

C25H23N3O3 — CID 19754489

IUPAC1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea
SMILESCOc1cc2ncc(NC(=O)NCc3ccccc3)c(-c3ccccc3)c2cc1OC
InChIInChI=1S/C25H23N3O3/c1-30-22-13-19-20(14-23(22)31-2)26-16-21(24(19)18-11-7-4-8-12-18)28-25(29)27-15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H2,27,28,29)
InChIKeyZKOVTKFEQCBWJT-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.24
Rot. Bonds6

About 1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea

1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea (PubChem CID 19754489) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea
PubChem CID19754489
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea
SMILESCOc1cc2ncc(NC(=O)NCc3ccccc3)c(-c3ccccc3)c2cc1OC
InChIInChI=1S/C25H23N3O3/c1-30-22-13-19-20(14-23(22)31-2)26-16-21(24(19)18-11-7-4-8-12-18)28-25(29)27-15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H2,27,28,29)
InChIKeyZKOVTKFEQCBWJT-UHFFFAOYSA-N
XLogP5.24
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-amino-2-methoxyphenyl)-3-benzylurea
CID 107652897
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-benzyl-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081082
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230
1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea
CID 10071543
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea
CID 143083833
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
CID 18788641
1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea
CID 11626442
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea?
The IUPAC name of 1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea (CID 19754489) is 1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea.
What is the SMILES notation for 1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea?
The canonical SMILES for 1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea is COc1cc2ncc(NC(=O)NCc3ccccc3)c(-c3ccccc3)c2cc1OC.
What is the InChIKey of 1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea?
The InChIKey is ZKOVTKFEQCBWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-30-22-13-19-20(14-23(22)31-2)26-16-21(24(19)18-11-7-4-8-12-18)28-25(29)27-15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H2,27,28,29).
What are the key properties of 1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea?
1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea has a molecular weight of 413.48 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea is sourced from PubChem (CID 19754489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).