N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C19H14BrN5O2 — CID 55699552

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C19H14BrN5O2/c20-13-9-22-25(11-13)17-8-4-2-6-15(17)23-18(26)12-24-16-7-3-1-5-14(16)21-10-19(24)27/h1-11H,12H2,(H,23,26)
InChIKeyBYYDKHGNLANSBL-UHFFFAOYSA-N
MW424.26 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 55699552) has the molecular formula C19H14BrN5O2 and a molecular weight of 424.26 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID55699552
Molecular FormulaC19H14BrN5O2
Molecular Weight424.26 g/mol
Exact Mass423.03
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C19H14BrN5O2/c20-13-9-22-25(11-13)17-8-4-2-6-15(17)23-18(26)12-24-16-7-3-1-5-14(16)21-10-19(24)27/h1-11H,12H2,(H,23,26)
InChIKeyBYYDKHGNLANSBL-UHFFFAOYSA-N
XLogP2.98
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-bromopyrazol-1-yl)phenyl]acetamide
CID 55764653
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
N-(2-benzylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2469352
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933649
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55895462
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55764460
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 18200557
2-(2-oxoquinoxalin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991608

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 55699552) is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1-n1cc(Br)cn1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is BYYDKHGNLANSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O2/c20-13-9-22-25(11-13)17-8-4-2-6-15(17)23-18(26)12-24-16-7-3-1-5-14(16)21-10-19(24)27/h1-11H,12H2,(H,23,26).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 424.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 55699552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).