N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

C23H23N7O — CID 20914356

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(Nc2nc3ccccc3n3nnnc23)c1
InChIInChI=1S/C23H23N7O/c31-23(24-14-13-16-7-2-1-3-8-16)17-9-6-10-18(15-17)25-21-22-27-28-29-30(22)20-12-5-4-11-19(20)26-21/h4-7,9-12,15H,1-3,8,13-14H2,(H,24,31)(H,25,26)
InChIKeyCUACVVDWQAFNSQ-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.04
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (PubChem CID 20914356) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
PubChem CID20914356
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(Nc2nc3ccccc3n3nnnc23)c1
InChIInChI=1S/C23H23N7O/c31-23(24-14-13-16-7-2-1-3-8-16)17-9-6-10-18(15-17)25-21-22-27-28-29-30(22)20-12-5-4-11-19(20)26-21/h4-7,9-12,15H,1-3,8,13-14H2,(H,24,31)(H,25,26)
InChIKeyCUACVVDWQAFNSQ-UHFFFAOYSA-N
XLogP4.04
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 22432233
N-[2-(cyclohexen-1-yl)ethyl]-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
CID 50762098
N-[2-(4-methylphenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432202
N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432664
4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 26928258
N-[2-(cyclohexen-1-yl)ethyl]-3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322394
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198
N-[2-(cyclohexen-1-yl)ethyl]-3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327198
N-[2-(cyclohexen-1-yl)ethyl]-3-phenacylsulfanylbenzamide
CID 84557098
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (CID 20914356) is N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is O=C(NCCC1=CCCCC1)c1cccc(Nc2nc3ccccc3n3nnnc23)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The InChIKey is CUACVVDWQAFNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c31-23(24-14-13-16-7-2-1-3-8-16)17-9-6-10-18(15-17)25-21-22-27-28-29-30(22)20-12-5-4-11-19(20)26-21/h4-7,9-12,15H,1-3,8,13-14H2,(H,24,31)(H,25,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide has a molecular weight of 413.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is sourced from PubChem (CID 20914356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).