5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one

C28H26N2O4 — CID 54051299

IUPAC5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one
SMILESCOc1ccc(C[C@@H](C)/N=C/C(=O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C28H26N2O4/c1-19(16-20-8-10-22(33-2)11-9-20)29-17-25(31)23-12-14-26(28-24(23)13-15-27(32)30-28)34-18-21-6-4-3-5-7-21/h3-15,17,19H,16,18H2,1-2H3,(H,30,32)/b29-17+/t19-/m1/s1
InChIKeyLTBBLMVPBGMPQP-HRJIBFCWSA-N
MW454.53 g/mol
LogP5.00
Rot. Bonds9

About 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one

5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one (PubChem CID 54051299) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one
PubChem CID54051299
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one
SMILESCOc1ccc(C[C@@H](C)/N=C/C(=O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C28H26N2O4/c1-19(16-20-8-10-22(33-2)11-9-20)29-17-25(31)23-12-14-26(28-24(23)13-15-27(32)30-28)34-18-21-6-4-3-5-7-21/h3-15,17,19H,16,18H2,1-2H3,(H,30,32)/b29-17+/t19-/m1/s1
InChIKeyLTBBLMVPBGMPQP-HRJIBFCWSA-N
XLogP5.00
TPSA80.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one with MolForge

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Related Compounds

5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one;hydrochloride
CID 69288614
5-hydroxy-8-phenylmethoxy-1H-quinolin-2-one
CID 10400769
5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 164875331
5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one
CID 150761308
(2S)-N-[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 70380686
2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone
CID 139818881
ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one
CID 142244182
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-[(1R)-2-[(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 11386205
5-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethylamino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 68545832
8-[(3-methoxyphenyl)methoxy]-1H-quinolin-2-one
CID 82108279
5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxy-1-iodoethyl]-8-[(4-methoxyphenyl)methoxy]-1H-quinolin-2-one
CID 69236993

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one?
The IUPAC name of 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one (CID 54051299) is 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one?
The canonical SMILES for 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one is COc1ccc(C[C@@H](C)/N=C/C(=O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)cc1.
What is the InChIKey of 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one?
The InChIKey is LTBBLMVPBGMPQP-HRJIBFCWSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-19(16-20-8-10-22(33-2)11-9-20)29-17-25(31)23-12-14-26(28-24(23)13-15-27(32)30-28)34-18-21-6-4-3-5-7-21/h3-15,17,19H,16,18H2,1-2H3,(H,30,32)/b29-17+/t19-/m1/s1.
What are the key properties of 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one?
5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one has a molecular weight of 454.53 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one is sourced from PubChem (CID 54051299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).