[(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid

C12H15N4O7P — CID 10383749

IUPAC[(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid
SMILESCN(C)[C@@H](Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O
InChIInChI=1S/C12H15N4O7P/c1-15(2)9(24(21,22)23)4-6-3-7(16(19)20)5-8-10(6)14-12(18)11(17)13-8/h3,5,9H,4H2,1-2H3,(H,13,17)(H,14,18)(H2,21,22,23)/t9-/m1/s1
InChIKeyDZTAYQIPSPUMKT-SECBINFHSA-N
MW358.25 g/mol
LogP-0.27
Rot. Bonds5

About [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid

[(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid (PubChem CID 10383749) has the molecular formula C12H15N4O7P and a molecular weight of 358.25 g/mol. Its IUPAC name is [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid
PubChem CID10383749
Molecular FormulaC12H15N4O7P
Molecular Weight358.25 g/mol
Exact Mass358.07
IUPAC Name[(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid
SMILESCN(C)[C@@H](Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O
InChIInChI=1S/C12H15N4O7P/c1-15(2)9(24(21,22)23)4-6-3-7(16(19)20)5-8-10(6)14-12(18)11(17)13-8/h3,5,9H,4H2,1-2H3,(H,13,17)(H,14,18)(H2,21,22,23)/t9-/m1/s1
InChIKeyDZTAYQIPSPUMKT-SECBINFHSA-N
XLogP-0.27
TPSA169.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[carboxymethyl-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]amino]acetic acid
CID 18706657
7-nitro-5-[(propan-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 18706560
4-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-2-phosphonobutanoic acid
CID 18706348
5-[[benzyl(methyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione;dihydroxy(oxo)phosphanium
CID 23297967
[(R)-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-[[(1S)-1-phenylethyl]amino]methyl]phosphonic acid
CID 101157734
5-[(1-methyl-2,6-dioxopiperazin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 18706303
5-[(2-methylaziridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 18706668
2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]acetic acid
CID 18706345
3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenylpropanoic acid;hydrobromide
CID 70271843
methyl N-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-N-phenylcarbamate
CID 174394769
benzyl-[(benzylamino)-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]phosphinic acid;hydrobromide
CID 45259282
N-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]pentanamide
CID 54202406

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid?
The IUPAC name of [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid (CID 10383749) is [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid?
The canonical SMILES for [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid is CN(C)[C@@H](Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O.
What is the InChIKey of [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid?
The InChIKey is DZTAYQIPSPUMKT-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N4O7P/c1-15(2)9(24(21,22)23)4-6-3-7(16(19)20)5-8-10(6)14-12(18)11(17)13-8/h3,5,9H,4H2,1-2H3,(H,13,17)(H,14,18)(H2,21,22,23)/t9-/m1/s1.
What are the key properties of [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid?
[(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid has a molecular weight of 358.25 g/mol, XLogP of -0.27, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(dimethylamino)-2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]phosphonic acid is sourced from PubChem (CID 10383749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).