2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid

C28H26Cl2N4O5 — CID 118735265

IUPAC2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C28H26Cl2N4O5/c29-20-14-25(21(30)13-17(20)5-8-26(35)32-16-27(36)37)39-24-9-10-31-15-19(24)28(38)34-12-11-33(18-6-7-18)22-3-1-2-4-23(22)34/h1-4,9-10,13-15,18H,5-8,11-12,16H2,(H,32,35)(H,36,37)
InChIKeySQYFPTDVJFLIMT-UHFFFAOYSA-N
MW569.45 g/mol
LogP4.94
Rot. Bonds9

About 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid

2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid (PubChem CID 118735265) has the molecular formula C28H26Cl2N4O5 and a molecular weight of 569.45 g/mol. Its IUPAC name is 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid
PubChem CID118735265
Molecular FormulaC28H26Cl2N4O5
Molecular Weight569.45 g/mol
Exact Mass568.13
IUPAC Name2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C28H26Cl2N4O5/c29-20-14-25(21(30)13-17(20)5-8-26(35)32-16-27(36)37)39-24-9-10-31-15-19(24)28(38)34-12-11-33(18-6-7-18)22-3-1-2-4-23(22)34/h1-4,9-10,13-15,18H,5-8,11-12,16H2,(H,32,35)(H,36,37)
InChIKeySQYFPTDVJFLIMT-UHFFFAOYSA-N
XLogP4.94
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 53311869
CID 53311869
CID 71455634
CID 71455634
CID 71461054
CID 71461054
CID 71462787
CID 71462787
CID 53311781
CID 53311781
CID 71450252
CID 71450252
CID 71453901
CID 71453901
CID 71459273
CID 71459273
CID 71459275
CID 71459275
CID 71459276
CID 71459276
CID 71461055
CID 71461055
CID 118735268
CID 118735268

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid?
The IUPAC name of 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid (CID 118735265) is 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid?
The canonical SMILES for 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid is O=C(O)CNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl.
What is the InChIKey of 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid?
The InChIKey is SQYFPTDVJFLIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O5/c29-20-14-25(21(30)13-17(20)5-8-26(35)32-16-27(36)37)39-24-9-10-31-15-19(24)28(38)34-12-11-33(18-6-7-18)22-3-1-2-4-23(22)34/h1-4,9-10,13-15,18H,5-8,11-12,16H2,(H,32,35)(H,36,37).
What are the key properties of 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid?
2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid has a molecular weight of 569.45 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoylamino]acetic acid is sourced from PubChem (CID 118735265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).