1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea

C17H19FN4O2 — CID 122277567

IUPAC1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
SMILESO=C(NCCn1nc2c(cc1=O)CCCC2)Nc1ccccc1F
InChIInChI=1S/C17H19FN4O2/c18-13-6-2-4-8-15(13)20-17(24)19-9-10-22-16(23)11-12-5-1-3-7-14(12)21-22/h2,4,6,8,11H,1,3,5,7,9-10H2,(H2,19,20,24)
InChIKeyCCTATXNEVGYEKY-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.08
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea

1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea (PubChem CID 122277567) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
PubChem CID122277567
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
SMILESO=C(NCCn1nc2c(cc1=O)CCCC2)Nc1ccccc1F
InChIInChI=1S/C17H19FN4O2/c18-13-6-2-4-8-15(13)20-17(24)19-9-10-22-16(23)11-12-5-1-3-7-14(12)21-22/h2,4,6,8,11H,1,3,5,7,9-10H2,(H2,19,20,24)
InChIKeyCCTATXNEVGYEKY-UHFFFAOYSA-N
XLogP2.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]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

1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
CID 122280845
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
2-(2-fluorophenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277156
1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
CID 122277564
2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280389
1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
CID 122280840
2,2,2-trifluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277358
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633
3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277144
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea (CID 122277567) is 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea is O=C(NCCn1nc2c(cc1=O)CCCC2)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea?
The InChIKey is CCTATXNEVGYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-6-2-4-8-15(13)20-17(24)19-9-10-22-16(23)11-12-5-1-3-7-14(12)21-22/h2,4,6,8,11H,1,3,5,7,9-10H2,(H2,19,20,24).
What are the key properties of 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea?
1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea has a molecular weight of 330.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea is sourced from PubChem (CID 122277567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).