1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea

C19H19N3O4 — CID 16645769

IUPAC1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cnc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-16-9-13(10-17(25-2)18(16)26-3)21-19(23)22-14-8-12-6-4-5-7-15(12)20-11-14/h4-11H,1-3H3,(H2,21,22,23)
InChIKeyJLHGYWGKWLDUCC-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.90
Rot. Bonds5

About 1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea

1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 16645769) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID16645769
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cnc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-16-9-13(10-17(25-2)18(16)26-3)21-19(23)22-14-8-12-6-4-5-7-15(12)20-11-14/h4-11H,1-3H3,(H2,21,22,23)
InChIKeyJLHGYWGKWLDUCC-UHFFFAOYSA-N
XLogP3.90
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
methyl N-quinolin-3-ylcarbamate
CID 19697860
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea
CID 140892825
1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628
1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
CID 2239305
N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
CID 17410358
1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 164620319
2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
CID 51337639
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 122303901
1-(4-methoxyquinolin-2-yl)-3-phenylurea
CID 134098367

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea (CID 16645769) is 1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2cnc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is JLHGYWGKWLDUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-16-9-13(10-17(25-2)18(16)26-3)21-19(23)22-14-8-12-6-4-5-7-15(12)20-11-14/h4-11H,1-3H3,(H2,21,22,23).
What are the key properties of 1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea?
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 353.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 16645769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).