2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide

C16H14Br2N4O — CID 19549718

IUPAC2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(Br)c2cccnc12)n1cc(Br)cn1
InChIInChI=1S/C16H14Br2N4O/c1-2-14(22-9-10(17)8-20-22)16(23)21-13-6-5-12(18)11-4-3-7-19-15(11)13/h3-9,14H,2H2,1H3,(H,21,23)
InChIKeyPBVVYLHALSCDIO-UHFFFAOYSA-N
MW438.12 g/mol
LogP4.55
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide

2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide (PubChem CID 19549718) has the molecular formula C16H14Br2N4O and a molecular weight of 438.12 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide
PubChem CID19549718
Molecular FormulaC16H14Br2N4O
Molecular Weight438.12 g/mol
Exact Mass435.95
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(Br)c2cccnc12)n1cc(Br)cn1
InChIInChI=1S/C16H14Br2N4O/c1-2-14(22-9-10(17)8-20-22)16(23)21-13-6-5-12(18)11-4-3-7-19-15(11)13/h3-9,14H,2H2,1H3,(H,21,23)
InChIKeyPBVVYLHALSCDIO-UHFFFAOYSA-N
XLogP4.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.12
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
CID 19280962
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide
CID 45153810
N-(5-bromoquinolin-8-yl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280667
2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide
CID 19549763
N-(5-bromoquinolin-8-yl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539010
2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
CID 22742503
2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide
CID 19549741
N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474197
4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19551483
2-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]butanamide
CID 19551422
N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476311

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide (CID 19549718) is 2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide is CCC(C(=O)Nc1ccc(Br)c2cccnc12)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide?
The InChIKey is PBVVYLHALSCDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N4O/c1-2-14(22-9-10(17)8-20-22)16(23)21-13-6-5-12(18)11-4-3-7-19-15(11)13/h3-9,14H,2H2,1H3,(H,21,23).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide?
2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide has a molecular weight of 438.12 g/mol, XLogP of 4.55, 4 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-(5-bromoquinolin-8-yl)butanamide is sourced from PubChem (CID 19549718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).