2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H18N4O — CID 47017959

IUPAC2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C17H18N4O/c1-11-16(12(2)21(3)20-11)19-15(22)10-14-7-4-6-13-8-5-9-18-17(13)14/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyMTVIPUHINIYADV-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.77
Rot. Bonds3

About 2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 47017959) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID47017959
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C17H18N4O/c1-11-16(12(2)21(3)20-11)19-15(22)10-14-7-4-6-13-8-5-9-18-17(13)14/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyMTVIPUHINIYADV-UHFFFAOYSA-N
XLogP2.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
(2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065144
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-naphthalen-1-ylacetate
CID 9412783
2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978384
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 86895240
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine
CID 81426624
2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46958965
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
N-(quinolin-8-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 71883233
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 18198826

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 47017959) is 2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)Cc1cccc2cccnc12.
What is the InChIKey of 2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is MTVIPUHINIYADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-16(12(2)21(3)20-11)19-15(22)10-14-7-4-6-13-8-5-9-18-17(13)14/h4-9H,10H2,1-3H3,(H,19,22).
What are the key properties of 2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 294.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47017959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).