N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide

C18H20N4OS — CID 70708439

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCc3csc(N(C)C)n3)c2c1
InChIInChI=1S/C18H20N4OS/c1-11-5-6-16-14(7-11)15(8-12(2)20-16)17(23)19-9-13-10-24-18(21-13)22(3)4/h5-8,10H,9H2,1-4H3,(H,19,23)
InChIKeyRKWXRRMLMXOGGK-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.30
Rot. Bonds4

About N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 70708439) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID70708439
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCc3csc(N(C)C)n3)c2c1
InChIInChI=1S/C18H20N4OS/c1-11-5-6-16-14(7-11)15(8-12(2)20-16)17(23)19-9-13-10-24-18(21-13)22(3)4/h5-8,10H,9H2,1-4H3,(H,19,23)
InChIKeyRKWXRRMLMXOGGK-UHFFFAOYSA-N
XLogP3.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 18107562
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide
CID 134035263
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-4-carboxamide
CID 18076214
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide
CID 155945625
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
2,6-dimethyl-N-[3-(1,2,4-triazol-4-yl)propyl]quinoline-4-carboxamide
CID 70776674
methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate
CID 31838218

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide (CID 70708439) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NCc3csc(N(C)C)n3)c2c1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is RKWXRRMLMXOGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-5-6-16-14(7-11)15(8-12(2)20-16)17(23)19-9-13-10-24-18(21-13)22(3)4/h5-8,10H,9H2,1-4H3,(H,19,23).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 70708439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).