N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide

C21H25N3O2S — CID 110308155

IUPACN-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
SMILESCc1csc(C(CC(C)C)NC(=O)Cc2ccc3[nH]c(=O)c(C)cc3c2)n1
InChIInChI=1S/C21H25N3O2S/c1-12(2)7-18(21-22-14(4)11-27-21)23-19(25)10-15-5-6-17-16(9-15)8-13(3)20(26)24-17/h5-6,8-9,11-12,18H,7,10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLOYFAEIVCSGSDJ-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.05
Rot. Bonds6

About N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide

N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide (PubChem CID 110308155) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
PubChem CID110308155
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
SMILESCc1csc(C(CC(C)C)NC(=O)Cc2ccc3[nH]c(=O)c(C)cc3c2)n1
InChIInChI=1S/C21H25N3O2S/c1-12(2)7-18(21-22-14(4)11-27-21)23-19(25)10-15-5-6-17-16(9-15)8-13(3)20(26)24-17/h5-6,8-9,11-12,18H,7,10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLOYFAEIVCSGSDJ-UHFFFAOYSA-N
XLogP4.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110628653
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
CID 110628634
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide
CID 110628679
N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide
CID 110703838
2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 110289706
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037
2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
CID 110628639
6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one
CID 116997516
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92563807
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110303379
3-[2-[3-methyl-1-[[2-[3-methyl-4-(pyridin-2-ylcarbamoylamino)phenyl]acetyl]amino]butyl]-1,3-thiazol-4-yl]propanoic acid
CID 18313970

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The IUPAC name of N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide (CID 110308155) is N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The canonical SMILES for N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide is Cc1csc(C(CC(C)C)NC(=O)Cc2ccc3[nH]c(=O)c(C)cc3c2)n1.
What is the InChIKey of N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The InChIKey is LOYFAEIVCSGSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-12(2)7-18(21-22-14(4)11-27-21)23-19(25)10-15-5-6-17-16(9-15)8-13(3)20(26)24-17/h5-6,8-9,11-12,18H,7,10H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide has a molecular weight of 383.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 110308155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).