2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide

C20H16N4O — CID 47035823

IUPAC2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C20H16N4O/c25-19(23-18-6-1-4-16-5-2-11-21-20(16)18)14-15-7-9-17(10-8-15)24-13-3-12-22-24/h1-13H,14H2,(H,23,25)
InChIKeyLGJXSODSZKGUGK-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide

2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide (PubChem CID 47035823) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
PubChem CID47035823
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C20H16N4O/c25-19(23-18-6-1-4-16-5-2-11-21-20(16)18)14-15-7-9-17(10-8-15)24-13-3-12-22-24/h1-13H,14H2,(H,23,25)
InChIKeyLGJXSODSZKGUGK-UHFFFAOYSA-N
XLogP3.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide
CID 132575924
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 71911669
2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050401

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide (CID 47035823) is 2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide is O=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc2cccnc12.
What is the InChIKey of 2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide?
The InChIKey is LGJXSODSZKGUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-19(23-18-6-1-4-16-5-2-11-21-20(16)18)14-15-7-9-17(10-8-15)24-13-3-12-22-24/h1-13H,14H2,(H,23,25).
What are the key properties of 2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide?
2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide has a molecular weight of 328.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 47035823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).