(3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile

C23H24N8O — CID 144591464

IUPAC(3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile
SMILESC#N.CCC1CCCN(C(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)C1
InChIInChI=1S/C22H23N7O.CHN/c1-2-15-6-5-13-28(14-15)22(30)16-9-11-17(12-10-16)23-20-21-25-26-27-29(21)19-8-4-3-7-18(19)24-20;1-2/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24);1H
InChIKeyUZJRRGUFCOGLKE-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.82
Rot. Bonds4

About (3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile

(3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile (PubChem CID 144591464) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile
PubChem CID144591464
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name(3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile
SMILESC#N.CCC1CCCN(C(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)C1
InChIInChI=1S/C22H23N7O.CHN/c1-2-15-6-5-13-28(14-15)22(30)16-9-11-17(12-10-16)23-20-21-25-26-27-29(21)19-8-4-3-7-18(19)24-20;1-2/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24);1H
InChIKeyUZJRRGUFCOGLKE-UHFFFAOYSA-N
XLogP3.82
TPSA112.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperidine-4-carboxylic acid
CID 73442170
1,4-diazepan-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73442117
cyclopropyl-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]methanone
CID 73441895
(4-pyridin-2-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 22432629
tert-butyl 4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazine-1-carboxylate
CID 73442647
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 15990205
[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73388373
3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide
CID 73441847
N-pyridin-4-yl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 73442523
thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 144591518
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone
CID 23725539

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile?
The IUPAC name of (3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile (CID 144591464) is (3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile?
The canonical SMILES for (3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile is C#N.CCC1CCCN(C(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile?
The InChIKey is UZJRRGUFCOGLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O.CHN/c1-2-15-6-5-13-28(14-15)22(30)16-9-11-17(12-10-16)23-20-21-25-26-27-29(21)19-8-4-3-7-18(19)24-20;1-2/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24);1H.
What are the key properties of (3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile?
(3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile has a molecular weight of 428.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile is sourced from PubChem (CID 144591464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).