N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

C20H17BrN4O2 — CID 86933649

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2ccccc21)Nc1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C20H17BrN4O2/c21-15-11-22-25(12-15)18-8-4-2-6-16(18)23-19(26)13-24-17-7-3-1-5-14(17)9-10-20(24)27/h1-8,11-12H,9-10,13H2,(H,23,26)
InChIKeyYJSCMOGJUYSSBA-UHFFFAOYSA-N
MW425.29 g/mol
LogP3.55
Rot. Bonds4

About N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 86933649) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID86933649
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2ccccc21)Nc1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C20H17BrN4O2/c21-15-11-22-25(12-15)18-8-4-2-6-16(18)23-19(26)13-24-17-7-3-1-5-14(17)9-10-20(24)27/h1-8,11-12H,9-10,13H2,(H,23,26)
InChIKeyYJSCMOGJUYSSBA-UHFFFAOYSA-N
XLogP3.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55764650
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55699552
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 154836216
N-(2,4-difluorophenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126458852
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 56786514
N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 46869882
(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
CID 95162014
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 55699242
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51118797
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55764460

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (CID 86933649) is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is O=C(CN1C(=O)CCc2ccccc21)Nc1ccccc1-n1cc(Br)cn1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is YJSCMOGJUYSSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2/c21-15-11-22-25(12-15)18-8-4-2-6-16(18)23-19(26)13-24-17-7-3-1-5-14(17)9-10-20(24)27/h1-8,11-12H,9-10,13H2,(H,23,26).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 425.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 86933649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).