2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide

C26H22Cl2N8O3 — CID 53312361

IUPAC2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1nn[nH]n1)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C26H22Cl2N8O3/c27-18-12-23(19(28)11-16(18)25(37)30-14-24-31-33-34-32-24)39-22-7-8-29-13-17(22)26(38)36-10-9-35(15-5-6-15)20-3-1-2-4-21(20)36/h1-4,7-8,11-13,15H,5-6,9-10,14H2,(H,30,37)(H,31,32,33,34)
InChIKeyUORURTSUTJLSHP-UHFFFAOYSA-N
MW565.42 g/mol
LogP4.25
Rot. Bonds7

About 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide

2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 53312361) has the molecular formula C26H22Cl2N8O3 and a molecular weight of 565.42 g/mol. Its IUPAC name is 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID53312361
Molecular FormulaC26H22Cl2N8O3
Molecular Weight565.42 g/mol
Exact Mass564.12
IUPAC Name2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1nn[nH]n1)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C26H22Cl2N8O3/c27-18-12-23(19(28)11-16(18)25(37)30-14-24-31-33-34-32-24)39-22-7-8-29-13-17(22)26(38)36-10-9-35(15-5-6-15)20-3-1-2-4-21(20)36/h1-4,7-8,11-13,15H,5-6,9-10,14H2,(H,30,37)(H,31,32,33,34)
InChIKeyUORURTSUTJLSHP-UHFFFAOYSA-N
XLogP4.25
TPSA129.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 53312361) is 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide is O=C(NCc1nn[nH]n1)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is UORURTSUTJLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N8O3/c27-18-12-23(19(28)11-16(18)25(37)30-14-24-31-33-34-32-24)39-22-7-8-29-13-17(22)26(38)36-10-9-35(15-5-6-15)20-3-1-2-4-21(20)36/h1-4,7-8,11-13,15H,5-6,9-10,14H2,(H,30,37)(H,31,32,33,34).
What are the key properties of 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide?
2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 565.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 53312361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).