1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea

C22H18N4O3S — CID 66610724

IUPAC1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C22H18N4O3S/c27-22(25-14-16-4-3-11-23-13-16)26-18-7-9-19(10-8-18)30(28,29)20-12-17-5-1-2-6-21(17)24-15-20/h1-13,15H,14H2,(H2,25,26,27)
InChIKeyBVBYQAYLKDNYFX-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.78
Rot. Bonds5

About 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea

1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea (PubChem CID 66610724) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea
PubChem CID66610724
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C22H18N4O3S/c27-22(25-14-16-4-3-11-23-13-16)26-18-7-9-19(10-8-18)30(28,29)20-12-17-5-1-2-6-21(17)24-15-20/h1-13,15H,14H2,(H2,25,26,27)
InChIKeyBVBYQAYLKDNYFX-UHFFFAOYSA-N
XLogP3.78
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)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

Intepirdine
CID 11256720
1-[(6-Aminopyridin-3-Yl)methyl]-3-[4-(Phenylsulfonyl)phenyl]urea
CID 66610926
1-((3-(6-(2-Cyanopropan-2-yl)quinolin-8-yl)phenyl)methyl)-3-isopropyl-1-(4-(methylsulfonyl)phenyl)urea
CID 10152836
1-((2-Fluoro-5-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)methyl)-3-isopropyl-1-(4-(methylsulfonyl)phenyl)urea
CID 10196916
1-((3-(6-(2-Cyanopropan-2-yl)quinolin-8-yl)phenyl)methyl)-1-(4-(methylsulfonyl)phenyl)-3-phenylurea
CID 10289848
3-Isopropyl-1-(4-(methylsulfonyl)phenyl)-1-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)urea
CID 21865599
3-Isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)methyl)urea
CID 44410870
3-(Benzenesulfonyl)-4-(piperidin-1-yl)quinoline
CID 5640190
3-(Benzenesulfonyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 5640192
3-(4-Methylbenzenesulfonyl)-4-(4-methylpiperidin-1-YL)quinoline
CID 5641714
N-Benzyl-3-(4-methylbenzenesulfonyl)quinolin-4-amine
CID 7184909
1-Quinolin-4-yl-3-[4-(trifluoromethylsulfanyl)phenyl]urea;hydrochloride
CID 44533406

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea?
The IUPAC name of 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea (CID 66610724) is 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea is O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2cnc3ccccc3c2)cc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea?
The InChIKey is BVBYQAYLKDNYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c27-22(25-14-16-4-3-11-23-13-16)26-18-7-9-19(10-8-18)30(28,29)20-12-17-5-1-2-6-21(17)24-15-20/h1-13,15H,14H2,(H2,25,26,27).
What are the key properties of 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea?
1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea has a molecular weight of 418.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-3-(4-quinolin-3-ylsulfonylphenyl)urea is sourced from PubChem (CID 66610724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).