1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide

C16H16N4O — CID 18149355

IUPAC1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cccc3cccnc23)cn1
InChIInChI=1S/C16H16N4O/c1-20-11-14(10-19-20)16(21)18-9-7-13-5-2-4-12-6-3-8-17-15(12)13/h2-6,8,10-11H,7,9H2,1H3,(H,18,21)
InChIKeyMEDFKLUITWHDJM-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.94
Rot. Bonds4

About 1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide

1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide (PubChem CID 18149355) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
PubChem CID18149355
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cccc3cccnc23)cn1
InChIInChI=1S/C16H16N4O/c1-20-11-14(10-19-20)16(21)18-9-7-13-5-2-4-12-6-3-8-17-15(12)13/h2-6,8,10-11H,7,9H2,1H3,(H,18,21)
InChIKeyMEDFKLUITWHDJM-UHFFFAOYSA-N
XLogP1.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide
CID 81424213
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide
CID 36646719
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 109434935
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide
CID 39316228
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide (CID 18149355) is 1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCCc2cccc3cccnc23)cn1.
What is the InChIKey of 1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
The InChIKey is MEDFKLUITWHDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-11-14(10-19-20)16(21)18-9-7-13-5-2-4-12-6-3-8-17-15(12)13/h2-6,8,10-11H,7,9H2,1H3,(H,18,21).
What are the key properties of 1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18149355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).