N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane

C22H29N7O2 — CID 144591482

IUPACN-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane
SMILESCCC.COCCN(C)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1.[H][H]
InChIInChI=1S/C19H19N7O2.C3H8.H2/c1-25(11-12-28-2)19(27)13-7-9-14(10-8-13)20-17-18-22-23-24-26(18)16-6-4-3-5-15(16)21-17;1-3-2;/h3-10H,11-12H2,1-2H3,(H,20,21);3H2,1-2H3;1H
InChIKeyVHEUUDBQTAMYNG-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.80
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane

N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane (PubChem CID 144591482) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane
PubChem CID144591482
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC NameN-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane
SMILESCCC.COCCN(C)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1.[H][H]
InChIInChI=1S/C19H19N7O2.C3H8.H2/c1-25(11-12-28-2)19(27)13-7-9-14(10-8-13)20-17-18-22-23-24-26(18)16-6-4-3-5-15(16)21-17;1-3-2;/h3-10H,11-12H2,1-2H3,(H,20,21);3H2,1-2H3;1H
InChIKeyVHEUUDBQTAMYNG-UHFFFAOYSA-N
XLogP3.80
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;molecular hydrogen;1-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperidin-4-one
CID 144591402
N-pyridin-4-yl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 73442523
N-[2-(2,4-dimethylanilino)ethyl]-N-propyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 144591396
3-oxa-8-azabicyclo[3.2.1]octan-8-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 90082714
ethane;[4-(3-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 144591459
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
2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol
CID 135458511
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 22432233
N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine
CID 166319969
[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73388373

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane (CID 144591482) is N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane is CCC.COCCN(C)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1.[H][H].
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane?
The InChIKey is VHEUUDBQTAMYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2.C3H8.H2/c1-25(11-12-28-2)19(27)13-7-9-14(10-8-13)20-17-18-22-23-24-26(18)16-6-4-3-5-15(16)21-17;1-3-2;/h3-10H,11-12H2,1-2H3,(H,20,21);3H2,1-2H3;1H.
What are the key properties of N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane?
N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane has a molecular weight of 423.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide;molecular hydrogen;propane is sourced from PubChem (CID 144591482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).