methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate

C27H27N3O5 — CID 175119495

IUPACmethyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate
SMILESCOC(=O)C(OC)c1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1
InChIInChI=1S/C27H27N3O5/c1-33-25(27(32)34-2)18-6-5-7-20(16-18)35-24-12-13-28-17-21(24)26(31)30-15-14-29(19-10-11-19)22-8-3-4-9-23(22)30/h3-9,12-13,16-17,19,25H,10-11,14-15H2,1-2H3
InChIKeyIZQMIQQDECAKJQ-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.36
Rot. Bonds7

About methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate

methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate (PubChem CID 175119495) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate
PubChem CID175119495
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Namemethyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate
SMILESCOC(=O)C(OC)c1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1
InChIInChI=1S/C27H27N3O5/c1-33-25(27(32)34-2)18-6-5-7-20(16-18)35-24-12-13-28-17-21(24)26(31)30-15-14-29(19-10-11-19)22-8-3-4-9-23(22)30/h3-9,12-13,16-17,19,25H,10-11,14-15H2,1-2H3
InChIKeyIZQMIQQDECAKJQ-UHFFFAOYSA-N
XLogP4.36
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate?
The IUPAC name of methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate (CID 175119495) is methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate.
What is the SMILES notation for methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate?
The canonical SMILES for methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate is COC(=O)C(OC)c1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1.
What is the InChIKey of methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate?
The InChIKey is IZQMIQQDECAKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-33-25(27(32)34-2)18-6-5-7-20(16-18)35-24-12-13-28-17-21(24)26(31)30-15-14-29(19-10-11-19)22-8-3-4-9-23(22)30/h3-9,12-13,16-17,19,25H,10-11,14-15H2,1-2H3.
What are the key properties of methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate?
methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate has a molecular weight of 473.53 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate is sourced from PubChem (CID 175119495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).