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

C26H23ClN8O3 — CID 135205052

IUPAC2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide
SMILESCCCC(C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O
InChIInChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)
InChIKeyBSNRZZUTVDCZAA-UHFFFAOYSA-N
MW530.98 g/mol
LogP4.08
Rot. Bonds8

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

2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide (PubChem CID 135205052) has the molecular formula C26H23ClN8O3 and a molecular weight of 530.98 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide
PubChem CID135205052
Molecular FormulaC26H23ClN8O3
Molecular Weight530.98 g/mol
Exact Mass530.16
IUPAC Name2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide
SMILESCCCC(C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O
InChIInChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)
InChIKeyBSNRZZUTVDCZAA-UHFFFAOYSA-N
XLogP4.08
TPSA129.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.98
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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-ylpentanamide?
The IUPAC name of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide (CID 135205052) is 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide?
The canonical SMILES for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide is CCCC(C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O.
What is the InChIKey of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide?
The InChIKey is BSNRZZUTVDCZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37).
What are the key properties of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide?
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylpentanamide has a molecular weight of 530.98 g/mol, XLogP of 4.08, 8 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-ylpentanamide is sourced from PubChem (CID 135205052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).