3-chloro-2-hexoxy-6-nitroquinoxaline

C14H16ClN3O3 — CID 86080246

IUPAC3-chloro-2-hexoxy-6-nitroquinoxaline
SMILESCCCCCCOc1nc2ccc([N+](=O)[O-])cc2nc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-2-3-4-5-8-21-14-13(15)16-12-9-10(18(19)20)6-7-11(12)17-14/h6-7,9H,2-5,8H2,1H3
InChIKeyFDULATVEKWLNKY-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.15
Rot. Bonds7

About 3-chloro-2-hexoxy-6-nitroquinoxaline

3-chloro-2-hexoxy-6-nitroquinoxaline (PubChem CID 86080246) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 3-chloro-2-hexoxy-6-nitroquinoxaline.

Molecular Properties

Compound Name3-chloro-2-hexoxy-6-nitroquinoxaline
PubChem CID86080246
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name3-chloro-2-hexoxy-6-nitroquinoxaline
SMILESCCCCCCOc1nc2ccc([N+](=O)[O-])cc2nc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-2-3-4-5-8-21-14-13(15)16-12-9-10(18(19)20)6-7-11(12)17-14/h6-7,9H,2-5,8H2,1H3
InChIKeyFDULATVEKWLNKY-UHFFFAOYSA-N
XLogP4.15
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-nitro-2-octylquinoxaline
CID 139992057
5-nitro-2-tetradecoxyphenol
CID 19747178
2-decoxy-5-nitrobenzaldehyde
CID 25058968
1-hexoxy-2-(2-hexoxy-5-nitrophenyl)-4-nitrobenzene
CID 86624358
1-dodecoxy-2,4-dinitrobenzene
CID 101149819
1-nitro-4-octadecoxybenzene
CID 4258205
4-chloro-6-heptoxy-5-nitropyrimidine
CID 62101502
2-(4-decoxyphenyl)-5-nitro-1,3-benzoxazole
CID 102132367
1-nitro-3-octoxybenzene
CID 3442932
2-[4-(4-decoxyphenyl)phenyl]-5-nitro-1,3-benzoxazole
CID 102448908
2,3-didodecoxyquinoxaline
CID 139934452
2-(bromomethyl)-4-nitro-1-nonoxybenzene
CID 3536348

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hexoxy-6-nitroquinoxaline?
The IUPAC name of 3-chloro-2-hexoxy-6-nitroquinoxaline (CID 86080246) is 3-chloro-2-hexoxy-6-nitroquinoxaline.
What is the SMILES notation for 3-chloro-2-hexoxy-6-nitroquinoxaline?
The canonical SMILES for 3-chloro-2-hexoxy-6-nitroquinoxaline is CCCCCCOc1nc2ccc([N+](=O)[O-])cc2nc1Cl.
What is the InChIKey of 3-chloro-2-hexoxy-6-nitroquinoxaline?
The InChIKey is FDULATVEKWLNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-2-3-4-5-8-21-14-13(15)16-12-9-10(18(19)20)6-7-11(12)17-14/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 3-chloro-2-hexoxy-6-nitroquinoxaline?
3-chloro-2-hexoxy-6-nitroquinoxaline has a molecular weight of 309.75 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hexoxy-6-nitroquinoxaline is sourced from PubChem (CID 86080246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).