methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate

C26H23Cl2N3O4 — CID 53311448

IUPACmethyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1cc(Cl)c(Oc2cc(C)ncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C26H23Cl2N3O4/c1-15-11-23(35-24-13-19(27)17(12-20(24)28)26(33)34-2)18(14-29-15)25(32)31-10-9-30(16-7-8-16)21-5-3-4-6-22(21)31/h3-6,11-14,16H,7-10H2,1-2H3
InChIKeyPXFRAEADQCDEEQ-UHFFFAOYSA-N
MW512.39 g/mol
LogP5.90
Rot. Bonds5

About methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate

methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate (PubChem CID 53311448) has the molecular formula C26H23Cl2N3O4 and a molecular weight of 512.39 g/mol. Its IUPAC name is methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate
PubChem CID53311448
Molecular FormulaC26H23Cl2N3O4
Molecular Weight512.39 g/mol
Exact Mass511.11
IUPAC Namemethyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1cc(Cl)c(Oc2cc(C)ncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C26H23Cl2N3O4/c1-15-11-23(35-24-13-19(27)17(12-20(24)28)26(33)34-2)18(14-29-15)25(32)31-10-9-30(16-7-8-16)21-5-3-4-6-22(21)31/h3-6,11-14,16H,7-10H2,1-2H3
InChIKeyPXFRAEADQCDEEQ-UHFFFAOYSA-N
XLogP5.90
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.39
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate with MolForge

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Related Compounds

methyl 2-chloro-4-[2-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-pyridinyl]oxy]phenyl]ethynyl]benzoate
CID 59294518
methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate
CID 156705084
methyl 4-[(1E,3E)-1-amino-2-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)hexa-1,3,5-trien-3-yl]oxy-2,5-dichlorobenzoate
CID 88930129
ethyl 5-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-1,3,4-thiadiazole-2-carboxylate
CID 53311182
[4-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-1-methylpyrrol-2-yl] hydrogen carbonate
CID 118020996
ethyl 6-chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-3-methyl-1-benzofuran-2-carboxylate
CID 90644459
2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-pyridinyl]oxy]phenyl]propanoyl-methylamino]acetic acid
CID 59294551
(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
CID 53311952
methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate
CID 175119495
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone
CID 90327474
tert-butyl 4-[2-[2-[2-[2-[2-[2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 174777925
methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate
CID 118093547

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate?
The IUPAC name of methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate (CID 53311448) is methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate.
What is the SMILES notation for methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate?
The canonical SMILES for methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate is COC(=O)c1cc(Cl)c(Oc2cc(C)ncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl.
What is the InChIKey of methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate?
The InChIKey is PXFRAEADQCDEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O4/c1-15-11-23(35-24-13-19(27)17(12-20(24)28)26(33)34-2)18(14-29-15)25(32)31-10-9-30(16-7-8-16)21-5-3-4-6-22(21)31/h3-6,11-14,16H,7-10H2,1-2H3.
What are the key properties of methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate?
methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate has a molecular weight of 512.39 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoate is sourced from PubChem (CID 53311448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).