N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide

C17H18N4OS — CID 46994897

IUPACN,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2snnc2C)c2cccc(C)c2n1
InChIInChI=1S/C17H18N4OS/c1-10-6-5-7-13-14(8-11(2)18-16(10)13)17(22)21(4)9-15-12(3)19-20-23-15/h5-8H,9H2,1-4H3
InChIKeyUWLKRGQDYGZGND-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.28
Rot. Bonds3

About N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide

N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide (PubChem CID 46994897) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide
PubChem CID46994897
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2snnc2C)c2cccc(C)c2n1
InChIInChI=1S/C17H18N4OS/c1-10-6-5-7-13-14(8-11(2)18-16(10)13)17(22)21(4)9-15-12(3)19-20-23-15/h5-8H,9H2,1-4H3
InChIKeyUWLKRGQDYGZGND-UHFFFAOYSA-N
XLogP3.28
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2,8-trimethyl-N-[(4-methylthiadiazol-5-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

N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide
CID 46982276
N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]furan-2-carboxamide
CID 56759688
N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide
CID 95045864
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
CID 58773020
8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489307
N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide
CID 46993368
N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 70747283
N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide
CID 50956987
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
CID 46985286
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986

Frequently Asked Questions

What is the IUPAC name of N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide (CID 46994897) is N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide is Cc1cc(C(=O)N(C)Cc2snnc2C)c2cccc(C)c2n1.
What is the InChIKey of N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide?
The InChIKey is UWLKRGQDYGZGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10-6-5-7-13-14(8-11(2)18-16(10)13)17(22)21(4)9-15-12(3)19-20-23-15/h5-8H,9H2,1-4H3.
What are the key properties of N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide?
N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 46994897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).