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

C26H25N3O4 — CID 156705084

IUPACmethyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1
InChIInChI=1S/C26H25N3O4/c1-17-7-8-18(26(31)32-2)15-24(17)33-23-11-12-27-16-20(23)25(30)29-14-13-28(19-9-10-19)21-5-3-4-6-22(21)29/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3
InChIKeyUNNVRGHIHKBMRS-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.60
Rot. Bonds5

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

methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate (PubChem CID 156705084) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate
PubChem CID156705084
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Namemethyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1
InChIInChI=1S/C26H25N3O4/c1-17-7-8-18(26(31)32-2)15-24(17)33-23-11-12-27-16-20(23)25(30)29-14-13-28(19-9-10-19)21-5-3-4-6-22(21)29/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3
InChIKeyUNNVRGHIHKBMRS-UHFFFAOYSA-N
XLogP4.60
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate?
The IUPAC name of methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate (CID 156705084) is methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate is COC(=O)c1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1.
What is the InChIKey of methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate?
The InChIKey is UNNVRGHIHKBMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-17-7-8-18(26(31)32-2)15-24(17)33-23-11-12-27-16-20(23)25(30)29-14-13-28(19-9-10-19)21-5-3-4-6-22(21)29/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3.
What are the key properties of methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate?
methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate has a molecular weight of 443.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate is sourced from PubChem (CID 156705084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).