1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C16H19N3OS — CID 75385305

IUPAC1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(NCc3nc(C)cs3)ccc21
InChIInChI=1S/C16H19N3OS/c1-11-10-21-16(18-11)9-17-14-5-6-15-13(8-14)4-3-7-19(15)12(2)20/h5-6,8,10,17H,3-4,7,9H2,1-2H3
InChIKeyZMNQDRCBQMMBDE-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.36
Rot. Bonds3

About 1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 75385305) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID75385305
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(NCc3nc(C)cs3)ccc21
InChIInChI=1S/C16H19N3OS/c1-11-10-21-16(18-11)9-17-14-5-6-15-13(8-14)4-3-7-19(15)12(2)20/h5-6,8,10,17H,3-4,7,9H2,1-2H3
InChIKeyZMNQDRCBQMMBDE-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 75385305) is 1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2cc(NCc3nc(C)cs3)ccc21.
What is the InChIKey of 1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is ZMNQDRCBQMMBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-10-21-16(18-11)9-17-14-5-6-15-13(8-14)4-3-7-19(15)12(2)20/h5-6,8,10,17H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 301.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 75385305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).