6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one

C18H23N3OS — CID 95579584

About 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95579584) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 95579584
• Molecular Formula: C18H23N3OS
• Molecular Weight: 329.47 g/mol
• Exact Mass: 329.16
• IUPAC Name: 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
• SMILES: CC(C)c1nc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cs1
• InChI: InChI=1S/C18H23N3OS/c1-11(2)18-20-15(10-23-18)9-19-12(3)13-4-6-16-14(8-13)5-7-17(22)21-16/h4,6,8,10-12,19H,5,7,9H2,1-3H3,(H,21,22)/t12-/m1/s1
• InChIKey: LAHUIJYGVVCZPU-GFCCVEGCSA-N
• XLogP: 4.00
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.47
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 95579584) is 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is CC(C)c1nc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cs1.

What is the InChIKey of 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is LAHUIJYGVVCZPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-11(2)18-20-15(10-23-18)9-19-12(3)13-4-6-16-14(8-13)5-7-17(22)21-16/h4,6,8,10-12,19H,5,7,9H2,1-3H3,(H,21,22)/t12-/m1/s1.

What are the key properties of 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?

6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 329.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95579584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).