4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide

C12H11N7O3 — CID 21491293

IUPAC4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1nc2ccccc2n(CCO)c1=O
InChIInChI=1S/C12H11N7O3/c20-6-5-19-8-4-2-1-3-7(8)13-9(11(19)22)10(21)14-12-15-17-18-16-12/h1-4,20H,5-6H2,(H2,14,15,16,17,18,21)
InChIKeyPRMZGKNHINLBOB-UHFFFAOYSA-N
MW301.27 g/mol
LogP-0.85
Rot. Bonds4

About 4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide

4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide (PubChem CID 21491293) has the molecular formula C12H11N7O3 and a molecular weight of 301.27 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
PubChem CID21491293
Molecular FormulaC12H11N7O3
Molecular Weight301.27 g/mol
Exact Mass301.09
IUPAC Name4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1nc2ccccc2n(CCO)c1=O
InChIInChI=1S/C12H11N7O3/c20-6-5-19-8-4-2-1-3-7(8)13-9(11(19)22)10(21)14-12-15-17-18-16-12/h1-4,20H,5-6H2,(H2,14,15,16,17,18,21)
InChIKeyPRMZGKNHINLBOB-UHFFFAOYSA-N
XLogP-0.85
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate
CID 21491328
6-methoxy-4-methyl-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491304
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane
CID 143080552
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one
CID 102298020
3-benzoyl-1-pentylquinoxalin-2-one
CID 2016912
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808152
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide (CID 21491293) is 4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide is O=C(Nc1nn[nH]n1)c1nc2ccccc2n(CCO)c1=O.
What is the InChIKey of 4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide?
The InChIKey is PRMZGKNHINLBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O3/c20-6-5-19-8-4-2-1-3-7(8)13-9(11(19)22)10(21)14-12-15-17-18-16-12/h1-4,20H,5-6H2,(H2,14,15,16,17,18,21).
What are the key properties of 4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide?
4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide has a molecular weight of 301.27 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 21491293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).