2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide

C24H31N3O2S — CID 95856017

IUPAC2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)CC4CCCC4)n3)ccc21
InChIInChI=1S/C24H31N3O2S/c1-16(2)23(29)27-12-6-9-19-14-18(10-11-21(19)27)20-15-30-24(25-20)26(3)22(28)13-17-7-4-5-8-17/h10-11,14-17H,4-9,12-13H2,1-3H3
InChIKeyYFULUBJAJKQFIQ-UHFFFAOYSA-N
MW425.60 g/mol
LogP5.29
Rot. Bonds5

About 2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide

2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95856017) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is 2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID95856017
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC Name2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)CC4CCCC4)n3)ccc21
InChIInChI=1S/C24H31N3O2S/c1-16(2)23(29)27-12-6-9-19-14-18(10-11-21(19)27)20-15-30-24(25-20)26(3)22(28)13-17-7-4-5-8-17/h10-11,14-17H,4-9,12-13H2,1-3H3
InChIKeyYFULUBJAJKQFIQ-UHFFFAOYSA-N
XLogP5.29
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.60
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide (CID 95856017) is 2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide is CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)CC4CCCC4)n3)ccc21.
What is the InChIKey of 2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YFULUBJAJKQFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-16(2)23(29)27-12-6-9-19-14-18(10-11-21(19)27)20-15-30-24(25-20)26(3)22(28)13-17-7-4-5-8-17/h10-11,14-17H,4-9,12-13H2,1-3H3.
What are the key properties of 2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide?
2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 425.60 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95856017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).