2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide

C21H21N5OS — CID 31018668

IUPAC2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N(C)Cc3csc(C)n3)c3ccccc3n2)cn1
InChIInChI=1S/C21H21N5OS/c1-4-26-11-15(10-22-26)20-9-18(17-7-5-6-8-19(17)24-20)21(27)25(3)12-16-13-28-14(2)23-16/h5-11,13H,4,12H2,1-3H3
InChIKeyHRXCQRQBJPMQBU-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.16
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide

2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide (PubChem CID 31018668) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide
PubChem CID31018668
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N(C)Cc3csc(C)n3)c3ccccc3n2)cn1
InChIInChI=1S/C21H21N5OS/c1-4-26-11-15(10-22-26)20-9-18(17-7-5-6-8-19(17)24-20)21(27)25(3)12-16-13-28-14(2)23-16/h5-11,13H,4,12H2,1-3H3
InChIKeyHRXCQRQBJPMQBU-UHFFFAOYSA-N
XLogP4.16
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-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

2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 39776190
1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46990998
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 29085706
N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
CID 46984469
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
2-(4-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767183
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)-N-methylquinoline-4-carboxamide
CID 17023573

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide (CID 31018668) is 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)N(C)Cc3csc(C)n3)c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide?
The InChIKey is HRXCQRQBJPMQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-4-26-11-15(10-22-26)20-9-18(17-7-5-6-8-19(17)24-20)21(27)25(3)12-16-13-28-14(2)23-16/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 31018668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).