2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide

C21H17BrN4O — CID 2220713

IUPAC2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCn1cc(CNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cn1
InChIInChI=1S/C21H17BrN4O/c1-26-13-14(12-24-26)11-23-21(27)18-10-20(15-6-8-16(22)9-7-15)25-19-5-3-2-4-17(18)19/h2-10,12-13H,11H2,1H3,(H,23,27)
InChIKeyXGNKAVROPWIFLU-UHFFFAOYSA-N
MW421.30 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide

2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide (PubChem CID 2220713) has the molecular formula C21H17BrN4O and a molecular weight of 421.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
PubChem CID2220713
Molecular FormulaC21H17BrN4O
Molecular Weight421.30 g/mol
Exact Mass420.06
IUPAC Name2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCn1cc(CNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cn1
InChIInChI=1S/C21H17BrN4O/c1-26-13-14(12-24-26)11-23-21(27)18-10-20(15-6-8-16(22)9-7-15)25-19-5-3-2-4-17(18)19/h2-10,12-13H,11H2,1H3,(H,23,27)
InChIKeyXGNKAVROPWIFLU-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

c-Met Inhibitor D6808
CID 165437862
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
4-bromo-N-quinolin-7-ylbenzamide
CID 831408
N-[4-[1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-6-yl(propyl)amino]butyl]-4-phenylbenzamide
CID 52937680
3-bromo-N-quinolin-5-ylbenzamide
CID 930554
6-bromo-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-4-quinolinecarboxamide
CID 995077
2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 995079
2-(3-bromophenyl)-N-(pyridin-4-yl)quinoline-4-carboxamide
CID 5182253
3-((3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907143
3-((4-(6-Methylpyridin-2-yl)-3-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907179
tert-Butyl ({trans-4-[({[2-(1H-pyrazol-4-yl)quinolin-4-yl]carbonyl}amino) methyl]cyclohexyl}methyl)carbamate
CID 56666146

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide (CID 2220713) is 2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide is Cn1cc(CNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cn1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The InChIKey is XGNKAVROPWIFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O/c1-26-13-14(12-24-26)11-23-21(27)18-10-20(15-6-8-16(22)9-7-15)25-19-5-3-2-4-17(18)19/h2-10,12-13H,11H2,1H3,(H,23,27).
What are the key properties of 2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide has a molecular weight of 421.30 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 2220713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).