1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea

C17H20N4O — CID 4000468

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea
SMILESO=C(NCCC1=CCCCC1)Nc1ccc2nccnc2c1
InChIInChI=1S/C17H20N4O/c22-17(20-9-8-13-4-2-1-3-5-13)21-14-6-7-15-16(12-14)19-11-10-18-15/h4,6-7,10-12H,1-3,5,8-9H2,(H2,20,21,22)
InChIKeySZRDBGJUNSWUSL-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.64
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea

1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea (PubChem CID 4000468) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea
PubChem CID4000468
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea
SMILESO=C(NCCC1=CCCCC1)Nc1ccc2nccnc2c1
InChIInChI=1S/C17H20N4O/c22-17(20-9-8-13-4-2-1-3-5-13)21-14-6-7-15-16(12-14)19-11-10-18-15/h4,6-7,10-12H,1-3,5,8-9H2,(H2,20,21,22)
InChIKeySZRDBGJUNSWUSL-UHFFFAOYSA-N
XLogP3.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 3399820
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
1-[2-(cyclohexen-1-yl)ethyl]-3-phenazin-2-ylthiourea
CID 3929171
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
CID 60577328
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
CID 23827995
1-(3-chloropyrazin-2-yl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 19703751
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198
1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 47223223
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea (CID 4000468) is 1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea is O=C(NCCC1=CCCCC1)Nc1ccc2nccnc2c1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea?
The InChIKey is SZRDBGJUNSWUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(20-9-8-13-4-2-1-3-5-13)21-14-6-7-15-16(12-14)19-11-10-18-15/h4,6-7,10-12H,1-3,5,8-9H2,(H2,20,21,22).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea?
1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea has a molecular weight of 296.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea is sourced from PubChem (CID 4000468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).