N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide

C23H22N4O2 — CID 155778849

IUPACN-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide
SMILESCC(C)(C)n1cc(NC(=O)c2cccc(Oc3ccnc4ccccc34)c2)cn1
InChIInChI=1S/C23H22N4O2/c1-23(2,3)27-15-17(14-25-27)26-22(28)16-7-6-8-18(13-16)29-21-11-12-24-20-10-5-4-9-19(20)21/h4-15H,1-3H3,(H,26,28)
InChIKeyYZLPFEQBWHYOML-UHFFFAOYSA-N
MW386.46 g/mol
LogP5.23
Rot. Bonds4

About N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide

N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide (PubChem CID 155778849) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide
PubChem CID155778849
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide
SMILESCC(C)(C)n1cc(NC(=O)c2cccc(Oc3ccnc4ccccc34)c2)cn1
InChIInChI=1S/C23H22N4O2/c1-23(2,3)27-15-17(14-25-27)26-22(28)16-7-6-8-18(13-16)29-21-11-12-24-20-10-5-4-9-19(20)21/h4-15H,1-3H3,(H,26,28)
InChIKeyYZLPFEQBWHYOML-UHFFFAOYSA-N
XLogP5.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide
CID 167542689
N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide
CID 167583586
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide
CID 86860510
N-(1-tert-butylpyrazol-4-yl)-2-[2-fluoro-4-[6-(methylsulfonimidoyl)quinolin-4-yl]oxyphenyl]acetamide
CID 171645903
N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide
CID 170001772
N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 167571163
2-methyl-2-[4-[[3-(trifluoromethoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696478
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-3-fluoro-2-methylphenoxy]-N-ethylquinoline-6-carboxamide
CID 171645503
N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 155779033
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-3-fluoro-2-methylphenoxy]quinoline-6-carboxylic acid
CID 174373726
4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide
CID 166187393

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide (CID 155778849) is N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide is CC(C)(C)n1cc(NC(=O)c2cccc(Oc3ccnc4ccccc34)c2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide?
The InChIKey is YZLPFEQBWHYOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-23(2,3)27-15-17(14-25-27)26-22(28)16-7-6-8-18(13-16)29-21-11-12-24-20-10-5-4-9-19(20)21/h4-15H,1-3H3,(H,26,28).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide?
N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide has a molecular weight of 386.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide is sourced from PubChem (CID 155778849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).