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

C22H17ClN6O5 — CID 141423396

IUPACN-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide
SMILESCC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C22H17ClN6O5/c1-12(22(30)28-19-9-8-18(29(31)32)21(24)27-19)33-14-3-5-15(6-4-14)34-20-11-25-17-10-13(23)2-7-16(17)26-20/h2-12H,1H3,(H3,24,27,28,30)
InChIKeyQATNRDLWKPOPGO-UHFFFAOYSA-N
MW480.87 g/mol
LogP4.37
Rot. Bonds7

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

N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide (PubChem CID 141423396) has the molecular formula C22H17ClN6O5 and a molecular weight of 480.87 g/mol. Its IUPAC name is N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide.

Molecular Properties

Compound NameN-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide
PubChem CID141423396
Molecular FormulaC22H17ClN6O5
Molecular Weight480.87 g/mol
Exact Mass480.09
IUPAC NameN-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide
SMILESCC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C22H17ClN6O5/c1-12(22(30)28-19-9-8-18(29(31)32)21(24)27-19)33-14-3-5-15(6-4-14)34-20-11-25-17-10-13(23)2-7-16(17)26-20/h2-12H,1H3,(H3,24,27,28,30)
InChIKeyQATNRDLWKPOPGO-UHFFFAOYSA-N
XLogP4.37
TPSA155.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.87
LogP ≤ 54.37
H-Bond Donors ≤ 52
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

2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide
CID 141423359
N-(6-amino-5-nitro-2-pyridinyl)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
CID 141413628
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
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669
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
thiolan-3-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 19022198
4-[5-(6-chloroquinoxalin-2-yl)oxy-2-nitrophenoxy]-2-cyano-N-ethyl-N-methoxy-3-oxopentanamide
CID 22904819
ethyl 2-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoyloxy]-3-methylbut-3-enoate
CID 57418245
2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 57291337
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-chloro-2-nitrobenzoate
CID 2602552

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide?
The IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide (CID 141423396) is N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide.
What is the SMILES notation for N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide?
The canonical SMILES for N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide is CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide?
The InChIKey is QATNRDLWKPOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O5/c1-12(22(30)28-19-9-8-18(29(31)32)21(24)27-19)33-14-3-5-15(6-4-14)34-20-11-25-17-10-13(23)2-7-16(17)26-20/h2-12H,1H3,(H3,24,27,28,30).
What are the key properties of N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide?
N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide has a molecular weight of 480.87 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide is sourced from PubChem (CID 141423396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).