2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid

C19H16ClN3O5 — CID 68697669

IUPAC2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
SMILESCC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)NCC(=O)O
InChIInChI=1S/C19H16ClN3O5/c1-11(19(26)22-10-18(24)25)27-13-3-5-14(6-4-13)28-17-9-21-15-7-2-12(20)8-16(15)23-17/h2-9,11H,10H2,1H3,(H,22,26)(H,24,25)
InChIKeyFOCANWDIFCZHRU-UHFFFAOYSA-N
MW401.81 g/mol
LogP3.04
Rot. Bonds7

About 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid

2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid (PubChem CID 68697669) has the molecular formula C19H16ClN3O5 and a molecular weight of 401.81 g/mol. Its IUPAC name is 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
PubChem CID68697669
Molecular FormulaC19H16ClN3O5
Molecular Weight401.81 g/mol
Exact Mass401.08
IUPAC Name2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
SMILESCC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)NCC(=O)O
InChIInChI=1S/C19H16ClN3O5/c1-11(19(26)22-10-18(24)25)27-13-3-5-14(6-4-13)28-17-9-21-15-7-2-12(20)8-16(15)23-17/h2-9,11H,10H2,1H3,(H,22,26)(H,24,25)
InChIKeyFOCANWDIFCZHRU-UHFFFAOYSA-N
XLogP3.04
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15070166
2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 10807054
2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile
CID 10592179
methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate
CID 10830920
ethyl 2-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoyloxy]-3-methylbut-3-enoate
CID 57418245
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
2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 57291337
2-[4-[(6-chloro-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoic acid
CID 10970039
N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide
CID 141423396
2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid;ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 45358785

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid?
The IUPAC name of 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid (CID 68697669) is 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid?
The canonical SMILES for 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid is CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid?
The InChIKey is FOCANWDIFCZHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5/c1-11(19(26)22-10-18(24)25)27-13-3-5-14(6-4-13)28-17-9-21-15-7-2-12(20)8-16(15)23-17/h2-9,11H,10H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid?
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid has a molecular weight of 401.81 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid is sourced from PubChem (CID 68697669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).