6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide

C11H8Cl2N4O4 — CID 54409697

IUPAC6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide
SMILESCC(O)c1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2nc1C(N)=O
InChIInChI=1S/C11H8Cl2N4O4/c1-3(18)7-9(11(14)19)15-5-2-4(12)6(13)10(17(20)21)8(5)16-7/h2-3,18H,1H3,(H2,14,19)
InChIKeyVTFVUGVDJLIEFG-UHFFFAOYSA-N
MW331.12 g/mol
LogP2.00
Rot. Bonds3

About 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide

6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide (PubChem CID 54409697) has the molecular formula C11H8Cl2N4O4 and a molecular weight of 331.12 g/mol. Its IUPAC name is 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide
PubChem CID54409697
Molecular FormulaC11H8Cl2N4O4
Molecular Weight331.12 g/mol
Exact Mass329.99
IUPAC Name6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide
SMILESCC(O)c1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2nc1C(N)=O
InChIInChI=1S/C11H8Cl2N4O4/c1-3(18)7-9(11(14)19)15-5-2-4(12)6(13)10(17(20)21)8(5)16-7/h2-3,18H,1H3,(H2,14,19)
InChIKeyVTFVUGVDJLIEFG-UHFFFAOYSA-N
XLogP2.00
TPSA132.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide 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

(6,7-dichloro-3-methyl-5-nitroquinoxalin-2-yl)cyanamide
CID 22973116
2,3,6-trichloro-7-fluoro-5-nitroquinoxaline
CID 22097048
1,2-dichloro-4-fluoro-5-methyl-3-nitrobenzene
CID 175351754
3,5-dichloro-4-nitrobenzamide
CID 121228420
6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide
CID 23354380
1,2,5-trichloro-4-methyl-3-nitrobenzene
CID 71376791
3,4,6-trichloro-2-nitroaniline
CID 3397577
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
3-acetyl-6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2-carboxamide
CID 23354062
3-amino-4-nitroquinoline-2-carboxamide
CID 19034639
2,4,6-trichloro-5-nitropyridine-3-carboxamide
CID 542095
1-[1-(2,6-dichloro-4-nitrophenyl)triazol-4-yl]ethanol
CID 81444834

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide?
The IUPAC name of 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide (CID 54409697) is 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide.
What is the SMILES notation for 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide?
The canonical SMILES for 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide is CC(O)c1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2nc1C(N)=O.
What is the InChIKey of 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide?
The InChIKey is VTFVUGVDJLIEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O4/c1-3(18)7-9(11(14)19)15-5-2-4(12)6(13)10(17(20)21)8(5)16-7/h2-3,18H,1H3,(H2,14,19).
What are the key properties of 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide?
6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide has a molecular weight of 331.12 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide is sourced from PubChem (CID 54409697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).