2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide

C15H13BrN4O — CID 45153810

IUPAC2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide
SMILESCC(C(=O)Nc1cccc2cccnc12)n1cc(Br)cn1
InChIInChI=1S/C15H13BrN4O/c1-10(20-9-12(16)8-18-20)15(21)19-13-6-2-4-11-5-3-7-17-14(11)13/h2-10H,1H3,(H,19,21)
InChIKeyHRNRNHSFYAMWDA-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.39
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide

2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide (PubChem CID 45153810) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide
PubChem CID45153810
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide
SMILESCC(C(=O)Nc1cccc2cccnc12)n1cc(Br)cn1
InChIInChI=1S/C15H13BrN4O/c1-10(20-9-12(16)8-18-20)15(21)19-13-6-2-4-11-5-3-7-17-14(11)13/h2-10H,1H3,(H,19,21)
InChIKeyHRNRNHSFYAMWDA-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 45153767
(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
CID 132555355
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide
CID 19549718
2-(4-bromopyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19537517
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19406207
2-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19537656
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 45153789

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide (CID 45153810) is 2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide is CC(C(=O)Nc1cccc2cccnc12)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide?
The InChIKey is HRNRNHSFYAMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-10(20-9-12(16)8-18-20)15(21)19-13-6-2-4-11-5-3-7-17-14(11)13/h2-10H,1H3,(H,19,21).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide?
2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide has a molecular weight of 345.20 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 45153810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).