5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one

C19H20N2O2 — CID 164875331

IUPAC5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
SMILESC[C@@H](CN)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12
InChIInChI=1S/C19H20N2O2/c1-13(11-20)15-7-9-17(19-16(15)8-10-18(22)21-19)23-12-14-5-3-2-4-6-14/h2-10,13H,11-12,20H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyHYEHQAJHBQWKJA-ZDUSSCGKSA-N
MW308.38 g/mol
LogP3.17
Rot. Bonds5

About 5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one

5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one (PubChem CID 164875331) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
PubChem CID164875331
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
SMILESC[C@@H](CN)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12
InChIInChI=1S/C19H20N2O2/c1-13(11-20)15-7-9-17(19-16(15)8-10-18(22)21-19)23-12-14-5-3-2-4-6-14/h2-10,13H,11-12,20H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyHYEHQAJHBQWKJA-ZDUSSCGKSA-N
XLogP3.17
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R)-1-[2-(4-methylphenyl)ethylamino]propan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 143017414
5-hydroxy-8-phenylmethoxy-1H-quinolin-2-one
CID 10400769
5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;5-[(1R)-2-bromo-1-propan-2-yloxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 159089444
5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one
CID 150761308
5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one;hydrochloride
CID 69288614
ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one
CID 142244182
5-[(1R)-2-[2-[4-[4-(2-aminoethyl)anilino]phenyl]ethylamino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 66796190
5-[(1R)-2-[(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 11386205
5-[(1S)-2-[(6-fluoro-3-pyridinyl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 166524122
5-[(1R)-2-azido-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 159026503
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 175343725
(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium
CID 70998527

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one?
The IUPAC name of 5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one (CID 164875331) is 5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one?
The canonical SMILES for 5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one is C[C@@H](CN)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12.
What is the InChIKey of 5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one?
The InChIKey is HYEHQAJHBQWKJA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(11-20)15-7-9-17(19-16(15)8-10-18(22)21-19)23-12-14-5-3-2-4-6-14/h2-10,13H,11-12,20H2,1H3,(H,21,22)/t13-/m0/s1.
What are the key properties of 5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one?
5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one is sourced from PubChem (CID 164875331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).