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

C25H20Cl2N8O3 — CID 53312360

IUPAC2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C25H20Cl2N8O3/c26-17-12-22(18(27)11-15(17)23(36)29-25-30-32-33-31-25)38-21-7-8-28-13-16(21)24(37)35-10-9-34(14-5-6-14)19-3-1-2-4-20(19)35/h1-4,7-8,11-14H,5-6,9-10H2,(H2,29,30,31,32,33,36)
InChIKeyKXEHCPIZCPGNAT-UHFFFAOYSA-N
MW551.39 g/mol
LogP4.58
Rot. Bonds6

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

2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 53312360) has the molecular formula C25H20Cl2N8O3 and a molecular weight of 551.39 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-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID53312360
Molecular FormulaC25H20Cl2N8O3
Molecular Weight551.39 g/mol
Exact Mass550.10
IUPAC Name2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C25H20Cl2N8O3/c26-17-12-22(18(27)11-15(17)23(36)29-25-30-32-33-31-25)38-21-7-8-28-13-16(21)24(37)35-10-9-34(14-5-6-14)19-3-1-2-4-20(19)35/h1-4,7-8,11-14H,5-6,9-10H2,(H2,29,30,31,32,33,36)
InChIKeyKXEHCPIZCPGNAT-UHFFFAOYSA-N
XLogP4.58
TPSA129.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.39
LogP ≤ 54.58
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-yl)benzamide?
The IUPAC name of 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide (CID 53312360) is 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)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-yl)benzamide?
The canonical SMILES for 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[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-yl)benzamide?
The InChIKey is KXEHCPIZCPGNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N8O3/c26-17-12-22(18(27)11-15(17)23(36)29-25-30-32-33-31-25)38-21-7-8-28-13-16(21)24(37)35-10-9-34(14-5-6-14)19-3-1-2-4-20(19)35/h1-4,7-8,11-14H,5-6,9-10H2,(H2,29,30,31,32,33,36).
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-yl)benzamide?
2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 551.39 g/mol, XLogP of 4.58, 6 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-yl)benzamide is sourced from PubChem (CID 53312360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).