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

C19H19N3O4 — CID 164620319

IUPAC1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3ncccc23)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-16-10-12(11-17(25-2)18(16)26-3)21-19(23)22-15-8-4-7-14-13(15)6-5-9-20-14/h4-11H,1-3H3,(H2,21,22,23)
InChIKeyODQCHYOVALUKHT-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.90
Rot. Bonds5

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

1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 164620319) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID164620319
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3ncccc23)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-16-10-12(11-17(25-2)18(16)26-3)21-19(23)22-15-8-4-7-14-13(15)6-5-9-20-14/h4-11H,1-3H3,(H2,21,22,23)
InChIKeyODQCHYOVALUKHT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348
3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837
methyl N-quinolin-5-ylcarbamate
CID 110734012
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea
CID 18475499
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide
CID 55914859
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866635
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
1-quinolin-4-yl-3-quinolin-6-ylurea
CID 18475500

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea (CID 164620319) is 1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2cccc3ncccc23)cc(OC)c1OC.
What is the InChIKey of 1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is ODQCHYOVALUKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-16-10-12(11-17(25-2)18(16)26-3)21-19(23)22-15-8-4-7-14-13(15)6-5-9-20-14/h4-11H,1-3H3,(H2,21,22,23).
What are the key properties of 1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea?
1-quinolin-5-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-5-yl-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 164620319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).