ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate

C23H27NO3 — CID 7298133

IUPACethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate
SMILESCCOC(=O)C(=O)N1c2cc(C)ccc2[C@](C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C23H27NO3/c1-6-27-21(26)20(25)24-19-14-16(2)12-13-18(19)23(5,15-22(24,3)4)17-10-8-7-9-11-17/h7-14H,6,15H2,1-5H3/t23-/m0/s1
InChIKeyHVZCHUUCGHADMT-QHCPKHFHSA-N
MW365.47 g/mol
LogP4.38
Rot. Bonds2

About ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate

ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate (PubChem CID 7298133) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate
PubChem CID7298133
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nameethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate
SMILESCCOC(=O)C(=O)N1c2cc(C)ccc2[C@](C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C23H27NO3/c1-6-27-21(26)20(25)24-19-14-16(2)12-13-18(19)23(5,15-22(24,3)4)17-10-8-7-9-11-17/h7-14H,6,15H2,1-5H3/t23-/m0/s1
InChIKeyHVZCHUUCGHADMT-QHCPKHFHSA-N
XLogP4.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate with MolForge

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Related Compounds

(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone
CID 3742453
(3aS,7aS)-2-[2-oxo-2-[(4R)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 6581820
[(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone
CID 2721223
1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one
CID 15390256
2-piperidin-1-ium-1-yl-1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone chloride
CID 44664328
2-[2-oxo-2-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2866010
1-[2-oxo-2-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 1224796
ethyl 2-[(2S,4S)-4-(4-chlorophenyl)-2,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-oxoacetate
CID 95860570
2-(4-methylpiperazin-1-yl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
CID 3761008
1,3-benzodioxol-5-yl-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
CID 3710122
1-[7-(1,3-benzodioxol-5-yl)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethanone
CID 23990794
2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
CID 2864971

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate?
The IUPAC name of ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate (CID 7298133) is ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate is CCOC(=O)C(=O)N1c2cc(C)ccc2[C@](C)(c2ccccc2)CC1(C)C.
What is the InChIKey of ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate?
The InChIKey is HVZCHUUCGHADMT-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27NO3/c1-6-27-21(26)20(25)24-19-14-16(2)12-13-18(19)23(5,15-22(24,3)4)17-10-8-7-9-11-17/h7-14H,6,15H2,1-5H3/t23-/m0/s1.
What are the key properties of ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate?
ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate has a molecular weight of 365.47 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate is sourced from PubChem (CID 7298133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).