3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide

C24H24N4OS — CID 53237781

IUPAC3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCc3cncs3)cc2c1
InChIInChI=1S/C24H24N4OS/c1-15-5-3-4-6-21(15)17-7-8-22-18(10-17)11-19(23(25)28-22)9-16(2)24(29)27-13-20-12-26-14-30-20/h3-8,10-12,14,16H,9,13H2,1-2H3,(H2,25,28)(H,27,29)
InChIKeyKSWWBLYGIZHTMF-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.74
Rot. Bonds6

About 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide

3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide (PubChem CID 53237781) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide
PubChem CID53237781
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCc3cncs3)cc2c1
InChIInChI=1S/C24H24N4OS/c1-15-5-3-4-6-21(15)17-7-8-22-18(10-17)11-19(23(25)28-22)9-16(2)24(29)27-13-20-12-26-14-30-20/h3-8,10-12,14,16H,9,13H2,1-2H3,(H2,25,28)(H,27,29)
InChIKeyKSWWBLYGIZHTMF-UHFFFAOYSA-N
XLogP4.74
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide?
The IUPAC name of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide (CID 53237781) is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide is Cc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCc3cncs3)cc2c1.
What is the InChIKey of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide?
The InChIKey is KSWWBLYGIZHTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-15-5-3-4-6-21(15)17-7-8-22-18(10-17)11-19(23(25)28-22)9-16(2)24(29)27-13-20-12-26-14-30-20/h3-8,10-12,14,16H,9,13H2,1-2H3,(H2,25,28)(H,27,29).
What are the key properties of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide?
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide has a molecular weight of 416.55 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide is sourced from PubChem (CID 53237781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).