6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline

C18H14N4O2 — CID 71299838

IUPAC6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline
SMILESCc1cc2ncc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)nc2cc1C
InChIInChI=1S/C18H14N4O2/c1-10-5-16-17(6-11(10)2)21-18(9-20-16)14-8-19-15-4-3-12(22(23)24)7-13(14)15/h3-9,19H,1-2H3
InChIKeyHNNZXBQIPQCETR-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.30
Rot. Bonds2

About 6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline

6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline (PubChem CID 71299838) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline.

Molecular Properties

Compound Name6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline
PubChem CID71299838
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline
SMILESCc1cc2ncc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)nc2cc1C
InChIInChI=1S/C18H14N4O2/c1-10-5-16-17(6-11(10)2)21-18(9-20-16)14-8-19-15-4-3-12(22(23)24)7-13(14)15/h3-9,19H,1-2H3
InChIKeyHNNZXBQIPQCETR-UHFFFAOYSA-N
XLogP4.30
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 43152085
3-(2,3-dimethoxynaphthalen-1-yl)-5-nitro-1H-indole
CID 59364243
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(5-nitro-1H-indol-3-yl)-3-pyridinyl]methanone
CID 141076280
2-(2-chloro-4-nitrophenyl)quinoxaline
CID 134092942
3-methyl-7-nitro-1H-quinolin-4-one
CID 10560102
N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CID 18882
5-nitro-1H-indole-3-sulfinic acid
CID 165454900
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493
1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277
2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
CID 168929606
(2-methoxy-2-oxoethyl) 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
CID 10662398
5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103102

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline?
The IUPAC name of 6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline (CID 71299838) is 6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline.
What is the SMILES notation for 6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline?
The canonical SMILES for 6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline is Cc1cc2ncc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)nc2cc1C.
What is the InChIKey of 6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline?
The InChIKey is HNNZXBQIPQCETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-10-5-16-17(6-11(10)2)21-18(9-20-16)14-8-19-15-4-3-12(22(23)24)7-13(14)15/h3-9,19H,1-2H3.
What are the key properties of 6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline?
6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline has a molecular weight of 318.34 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline is sourced from PubChem (CID 71299838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).