N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide

C19H21N3OS — CID 70713626

IUPACN,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)N(C)C(C)c3cncs3)c2c1
InChIInChI=1S/C19H21N3OS/c1-11-6-12(2)18-15(7-11)16(8-13(3)21-18)19(23)22(5)14(4)17-9-20-10-24-17/h6-10,14H,1-5H3
InChIKeyQAKOLRQSBVTQIC-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.45
Rot. Bonds3

About N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide

N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide (PubChem CID 70713626) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
PubChem CID70713626
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)N(C)C(C)c3cncs3)c2c1
InChIInChI=1S/C19H21N3OS/c1-11-6-12(2)18-15(7-11)16(8-13(3)21-18)19(23)22(5)14(4)17-9-20-10-24-17/h6-10,14H,1-5H3
InChIKeyQAKOLRQSBVTQIC-UHFFFAOYSA-N
XLogP4.45
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 97113138
N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide
CID 97115532
N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide
CID 53015626
[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 133125911
N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 97145690
N,8-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 95046413
N,8-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 95046415
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide
CID 70711760
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide
CID 70769294
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
N,2,6,8-tetramethyl-N-[2-(2-oxopiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 70708375

Frequently Asked Questions

What is the IUPAC name of N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide (CID 70713626) is N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide is Cc1cc(C)c2nc(C)cc(C(=O)N(C)C(C)c3cncs3)c2c1.
What is the InChIKey of N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is QAKOLRQSBVTQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-11-6-12(2)18-15(7-11)16(8-13(3)21-18)19(23)22(5)14(4)17-9-20-10-24-17/h6-10,14H,1-5H3.
What are the key properties of N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide?
N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 70713626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).