N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

C22H16ClN7O — CID 15990199

IUPACN-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C22H16ClN7O/c23-17-6-2-1-5-15(17)13-24-22(31)14-9-11-16(12-10-14)25-20-21-27-28-29-30(21)19-8-4-3-7-18(19)26-20/h1-12H,13H2,(H,24,31)(H,25,26)
InChIKeyCZWZAKDPAJKBKT-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.00
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (PubChem CID 15990199) has the molecular formula C22H16ClN7O and a molecular weight of 429.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
PubChem CID15990199
Molecular FormulaC22H16ClN7O
Molecular Weight429.87 g/mol
Exact Mass429.11
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C22H16ClN7O/c23-17-6-2-1-5-15(17)13-24-22(31)14-9-11-16(12-10-14)25-20-21-27-28-29-30(21)19-8-4-3-7-18(19)26-20/h1-12H,13H2,(H,24,31)(H,25,26)
InChIKeyCZWZAKDPAJKBKT-UHFFFAOYSA-N
XLogP4.00
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (CID 15990199) is N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is O=C(NCc1ccccc1Cl)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The InChIKey is CZWZAKDPAJKBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN7O/c23-17-6-2-1-5-15(17)13-24-22(31)14-9-11-16(12-10-14)25-20-21-27-28-29-30(21)19-8-4-3-7-18(19)26-20/h1-12H,13H2,(H,24,31)(H,25,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide has a molecular weight of 429.87 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is sourced from PubChem (CID 15990199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).