N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide

C16H16N4O — CID 167826007

IUPACN-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide
SMILESCc1cnc2ccccc2c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C16H16N4O/c1-10-8-17-13-7-5-4-6-12(13)15(10)16(21)19-14-9-18-20(3)11(14)2/h4-9H,1-3H3,(H,19,21)
InChIKeyOIXJLFWYXBNNLE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.84
Rot. Bonds2

About N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide (PubChem CID 167826007) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide
PubChem CID167826007
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide
SMILESCc1cnc2ccccc2c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C16H16N4O/c1-10-8-17-13-7-5-4-6-12(13)15(10)16(21)19-14-9-18-20(3)11(14)2/h4-9H,1-3H3,(H,19,21)
InChIKeyOIXJLFWYXBNNLE-UHFFFAOYSA-N
XLogP2.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide
CID 139005259
3-methylquinoline-4-carbonyl chloride
CID 119093566
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
N-(1,5-dimethylpyrazol-4-yl)-2,4,5-trimethylbenzamide
CID 134707317
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
3-methoxy-N-(2-methoxyphenyl)quinoline-4-carboxamide
CID 110859914
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
1-(1,5-dimethylpyrazol-4-yl)-3-(2-methylphenyl)thiourea
CID 17264839
N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide
CID 2297728
N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 166217040
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19512586

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide (CID 167826007) is N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide is Cc1cnc2ccccc2c1C(=O)Nc1cnn(C)c1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide?
The InChIKey is OIXJLFWYXBNNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-8-17-13-7-5-4-6-12(13)15(10)16(21)19-14-9-18-20(3)11(14)2/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 167826007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).