1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea

C18H22N4O3 — CID 122277564

IUPAC1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCn2nc3c(cc2=O)CCCC3)cc1
InChIInChI=1S/C18H22N4O3/c1-25-15-8-6-14(7-9-15)20-18(24)19-10-11-22-17(23)12-13-4-2-3-5-16(13)21-22/h6-9,12H,2-5,10-11H2,1H3,(H2,19,20,24)
InChIKeyOWUNINHVUJLUHL-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.95
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea

1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea (PubChem CID 122277564) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
PubChem CID122277564
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCn2nc3c(cc2=O)CCCC3)cc1
InChIInChI=1S/C18H22N4O3/c1-25-15-8-6-14(7-9-15)20-18(24)19-10-11-22-17(23)12-13-4-2-3-5-16(13)21-22/h6-9,12H,2-5,10-11H2,1H3,(H2,19,20,24)
InChIKeyOWUNINHVUJLUHL-UHFFFAOYSA-N
XLogP1.95
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
CID 122280840
2-(3-methoxyphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277213
1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
CID 122280845
1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
CID 122277567
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 122277201
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
4-butoxy-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280450
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
2,2,2-trifluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277358
2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277222
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea (CID 122277564) is 1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea is COc1ccc(NC(=O)NCCn2nc3c(cc2=O)CCCC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea?
The InChIKey is OWUNINHVUJLUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-15-8-6-14(7-9-15)20-18(24)19-10-11-22-17(23)12-13-4-2-3-5-16(13)21-22/h6-9,12H,2-5,10-11H2,1H3,(H2,19,20,24).
What are the key properties of 1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea?
1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea has a molecular weight of 342.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea is sourced from PubChem (CID 122277564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).