1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea

C21H14ClN7O2 — CID 46377422

IUPAC1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C21H14ClN7O2/c22-13-5-7-14(8-6-13)23-21(30)24-15-9-11-16(12-10-15)31-20-19-26-27-28-29(19)18-4-2-1-3-17(18)25-20/h1-12H,(H2,23,24,30)
InChIKeyPCGVJNSJPFEFST-UHFFFAOYSA-N
MW431.84 g/mol
LogP4.76
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea

1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea (PubChem CID 46377422) has the molecular formula C21H14ClN7O2 and a molecular weight of 431.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea
PubChem CID46377422
Molecular FormulaC21H14ClN7O2
Molecular Weight431.84 g/mol
Exact Mass431.09
IUPAC Name1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C21H14ClN7O2/c22-13-5-7-14(8-6-13)23-21(30)24-15-9-11-16(12-10-15)31-20-19-26-27-28-29(19)18-4-2-1-3-17(18)25-20/h1-12H,(H2,23,24,30)
InChIKeyPCGVJNSJPFEFST-UHFFFAOYSA-N
XLogP4.76
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.84
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea with MolForge

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Related Compounds

3-(4-chlorophenoxy)-1-methylquinoxalin-2-one
CID 1471094
N-pyridin-4-yl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 73442523
2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide
CID 53125781
N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide
CID 73442469
1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532
N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide
CID 53031979
N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028465
3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide
CID 73441847
N-(4-ethylphenyl)-2-[1-oxo-4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028518
N-(5-chloro-2-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
CID 22431505
[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
CID 155294828
2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol
CID 135458511

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea (CID 46377422) is 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea?
The InChIKey is PCGVJNSJPFEFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN7O2/c22-13-5-7-14(8-6-13)23-21(30)24-15-9-11-16(12-10-15)31-20-19-26-27-28-29(19)18-4-2-1-3-17(18)25-20/h1-12H,(H2,23,24,30).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea?
1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea has a molecular weight of 431.84 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea is sourced from PubChem (CID 46377422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).