1-(4-methoxyquinolin-2-yl)-3-phenylurea

C17H15N3O2 — CID 134098367

IUPAC1-(4-methoxyquinolin-2-yl)-3-phenylurea
SMILESCOc1cc(NC(=O)Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C17H15N3O2/c1-22-15-11-16(19-14-10-6-5-9-13(14)15)20-17(21)18-12-7-3-2-4-8-12/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyIGTZKLXMMPWIJZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.89
Rot. Bonds3

About 1-(4-methoxyquinolin-2-yl)-3-phenylurea

1-(4-methoxyquinolin-2-yl)-3-phenylurea (PubChem CID 134098367) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(4-methoxyquinolin-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-methoxyquinolin-2-yl)-3-phenylurea
PubChem CID134098367
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(4-methoxyquinolin-2-yl)-3-phenylurea
SMILESCOc1cc(NC(=O)Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C17H15N3O2/c1-22-15-11-16(19-14-10-6-5-9-13(14)15)20-17(21)18-12-7-3-2-4-8-12/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyIGTZKLXMMPWIJZ-UHFFFAOYSA-N
XLogP3.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
(4-methoxyquinolin-2-yl) hydrogen carbonate
CID 70267248
1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343415
[3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid
CID 22640731
1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea
CID 22663120
tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate
CID 57437795
1-(5-hydroxy-2,4-dimethoxyphenyl)-3-phenylurea
CID 22099500
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484
1-phenyl-3-[3-(phenylcarbamoylamino)phenazin-2-yl]urea
CID 102390231
1-[4-[(4-methoxyacridin-9-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 127037355

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyquinolin-2-yl)-3-phenylurea?
The IUPAC name of 1-(4-methoxyquinolin-2-yl)-3-phenylurea (CID 134098367) is 1-(4-methoxyquinolin-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(4-methoxyquinolin-2-yl)-3-phenylurea?
The canonical SMILES for 1-(4-methoxyquinolin-2-yl)-3-phenylurea is COc1cc(NC(=O)Nc2ccccc2)nc2ccccc12.
What is the InChIKey of 1-(4-methoxyquinolin-2-yl)-3-phenylurea?
The InChIKey is IGTZKLXMMPWIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-11-16(19-14-10-6-5-9-13(14)15)20-17(21)18-12-7-3-2-4-8-12/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 1-(4-methoxyquinolin-2-yl)-3-phenylurea?
1-(4-methoxyquinolin-2-yl)-3-phenylurea has a molecular weight of 293.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyquinolin-2-yl)-3-phenylurea is sourced from PubChem (CID 134098367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).