6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one

C21H26N2O2 — CID 162368342

IUPAC6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CNC(C)(C)[C@@H](O)c3ccccc3)ccc21
InChIInChI=1S/C21H26N2O2/c1-21(2,20(25)16-7-5-4-6-8-16)22-14-15-9-11-18-17(13-15)10-12-19(24)23(18)3/h4-9,11,13,20,22,25H,10,12,14H2,1-3H3/t20-/m0/s1
InChIKeyQITHCLWWRWXBDJ-FQEVSTJZSA-N
MW338.45 g/mol
LogP3.20
Rot. Bonds5

About 6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 162368342) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID162368342
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CNC(C)(C)[C@@H](O)c3ccccc3)ccc21
InChIInChI=1S/C21H26N2O2/c1-21(2,20(25)16-7-5-4-6-8-16)22-14-15-9-11-18-17(13-15)10-12-19(24)23(18)3/h4-9,11,13,20,22,25H,10,12,14H2,1-3H3/t20-/m0/s1
InChIKeyQITHCLWWRWXBDJ-FQEVSTJZSA-N
XLogP3.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 162368342) is 6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(CNC(C)(C)[C@@H](O)c3ccccc3)ccc21.
What is the InChIKey of 6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is QITHCLWWRWXBDJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2,20(25)16-7-5-4-6-8-16)22-14-15-9-11-18-17(13-15)10-12-19(24)23(18)3/h4-9,11,13,20,22,25H,10,12,14H2,1-3H3/t20-/m0/s1.
What are the key properties of 6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 338.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 162368342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).