ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

C26H27NO4 — CID 90745760

IUPACethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC2=C(C(=O)CC(c3ccc(C)cc3)C2)C1c1cccc(O)c1
InChIInChI=1S/C26H27NO4/c1-4-31-26(30)23-16(3)27-21-13-19(17-10-8-15(2)9-11-17)14-22(29)25(21)24(23)18-6-5-7-20(28)12-18/h5-12,19,23-24,28H,4,13-14H2,1-3H3
InChIKeyIMSGQWFKTVDQOS-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.84
Rot. Bonds4

About ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (PubChem CID 90745760) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
PubChem CID90745760
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Nameethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC2=C(C(=O)CC(c3ccc(C)cc3)C2)C1c1cccc(O)c1
InChIInChI=1S/C26H27NO4/c1-4-31-26(30)23-16(3)27-21-13-19(17-10-8-15(2)9-11-17)14-22(29)25(21)24(23)18-6-5-7-20(28)12-18/h5-12,19,23-24,28H,4,13-14H2,1-3H3
InChIKeyIMSGQWFKTVDQOS-UHFFFAOYSA-N
XLogP4.84
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

propyl (4R,7R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7090425
ethyl (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6963226
cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 91589266
(1-carbamoylcyclopentyl) 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 91312101
ethyl (4R,7R)-4-(3-chlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968188
ethyl (4S,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6966655
ethyl (4S,7S)-4,7-bis(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7909706
ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 78444406
cyclopentyl 7-(4-tert-butylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 90983974
methyl (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6973742
ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967665
ethyl (4S,7S)-7-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967612

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (CID 90745760) is ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is CCOC(=O)C1C(C)=NC2=C(C(=O)CC(c3ccc(C)cc3)C2)C1c1cccc(O)c1.
What is the InChIKey of ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The InChIKey is IMSGQWFKTVDQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-4-31-26(30)23-16(3)27-21-13-19(17-10-8-15(2)9-11-17)14-22(29)25(21)24(23)18-6-5-7-20(28)12-18/h5-12,19,23-24,28H,4,13-14H2,1-3H3.
What are the key properties of ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is sourced from PubChem (CID 90745760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).