2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide

C23H15ClN6O5 — CID 141423359

IUPAC2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide
SMILESCC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C23H15ClN6O5/c1-13(23(31)29-21-9-8-20(30(32)33)19(11-25)27-21)34-15-3-5-16(6-4-15)35-22-12-26-18-10-14(24)2-7-17(18)28-22/h2-10,12-13H,1H3,(H,27,29,31)
InChIKeyDAFGSJHQIXYCNE-UHFFFAOYSA-N
MW490.86 g/mol
LogP4.66
Rot. Bonds7

About 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide

2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide (PubChem CID 141423359) has the molecular formula C23H15ClN6O5 and a molecular weight of 490.86 g/mol. Its IUPAC name is 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide
PubChem CID141423359
Molecular FormulaC23H15ClN6O5
Molecular Weight490.86 g/mol
Exact Mass490.08
IUPAC Name2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide
SMILESCC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C23H15ClN6O5/c1-13(23(31)29-21-9-8-20(30(32)33)19(11-25)27-21)34-15-3-5-16(6-4-15)35-22-12-26-18-10-14(24)2-7-17(18)28-22/h2-10,12-13H,1H3,(H,27,29,31)
InChIKeyDAFGSJHQIXYCNE-UHFFFAOYSA-N
XLogP4.66
TPSA153.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.86
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide
CID 141423396
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15070166
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
4-[5-(6-chloroquinoxalin-2-yl)oxy-2-nitrophenoxy]-2-cyano-N-ethyl-N-methoxy-3-oxopentanamide
CID 22904819
N-(6-amino-5-nitro-2-pyridinyl)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
CID 141413628
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669
N-(5-chloro-2-pyridinyl)-2-(4-cyanophenoxy)propanamide
CID 51140376
2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile
CID 10592179
2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide
CID 141423379
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide
CID 141423385
2-(prop-1-enylamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 91372945
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide?
The IUPAC name of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide (CID 141423359) is 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide?
The canonical SMILES for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide is CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C#N)n1.
What is the InChIKey of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide?
The InChIKey is DAFGSJHQIXYCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN6O5/c1-13(23(31)29-21-9-8-20(30(32)33)19(11-25)27-21)34-15-3-5-16(6-4-15)35-22-12-26-18-10-14(24)2-7-17(18)28-22/h2-10,12-13H,1H3,(H,27,29,31).
What are the key properties of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide?
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide has a molecular weight of 490.86 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide is sourced from PubChem (CID 141423359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).