2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide

C23H17ClN8O3 — CID 135205044

IUPAC2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide
SMILESCOc1cn(CC(=O)Nc2ccc3nccnc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C23H17ClN8O3/c1-35-21-11-31(12-22(33)28-15-3-4-18-19(9-15)26-7-6-25-18)23(34)10-17(21)16-8-14(24)2-5-20(16)32-13-27-29-30-32/h2-11,13H,12H2,1H3,(H,28,33)
InChIKeyGOCDCIBQPRFDPL-UHFFFAOYSA-N
MW488.90 g/mol
LogP2.73
Rot. Bonds6

About 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide

2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide (PubChem CID 135205044) has the molecular formula C23H17ClN8O3 and a molecular weight of 488.90 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide
PubChem CID135205044
Molecular FormulaC23H17ClN8O3
Molecular Weight488.90 g/mol
Exact Mass488.11
IUPAC Name2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide
SMILESCOc1cn(CC(=O)Nc2ccc3nccnc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C23H17ClN8O3/c1-35-21-11-31(12-22(33)28-15-3-4-18-19(9-15)26-7-6-25-18)23(34)10-17(21)16-8-14(24)2-5-20(16)32-13-27-29-30-32/h2-11,13H,12H2,1H3,(H,28,33)
InChIKeyGOCDCIBQPRFDPL-UHFFFAOYSA-N
XLogP2.73
TPSA129.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.90
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide?
The IUPAC name of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide (CID 135205044) is 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide.
What is the SMILES notation for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide?
The canonical SMILES for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide is COc1cn(CC(=O)Nc2ccc3nccnc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide?
The InChIKey is GOCDCIBQPRFDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN8O3/c1-35-21-11-31(12-22(33)28-15-3-4-18-19(9-15)26-7-6-25-18)23(34)10-17(21)16-8-14(24)2-5-20(16)32-13-27-29-30-32/h2-11,13H,12H2,1H3,(H,28,33).
What are the key properties of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide?
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide has a molecular weight of 488.90 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylacetamide is sourced from PubChem (CID 135205044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).