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

C30H33NO4 — CID 91589266

IUPACcyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SMILESCCc1ccc(C2CC(=O)C3=C(C2)N=C(C)C(C(=O)OC2CCCC2)C3c2cccc(O)c2)cc1
InChIInChI=1S/C30H33NO4/c1-3-19-11-13-20(14-12-19)22-16-25-29(26(33)17-22)28(21-7-6-8-23(32)15-21)27(18(2)31-25)30(34)35-24-9-4-5-10-24/h6-8,11-15,22,24,27-28,32H,3-5,9-10,16-17H2,1-2H3
InChIKeyWLXTTXNRRALINX-UHFFFAOYSA-N
MW471.60 g/mol
LogP6.02
Rot. Bonds5

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

cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (PubChem CID 91589266) has the molecular formula C30H33NO4 and a molecular weight of 471.60 g/mol. Its IUPAC name is cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
PubChem CID91589266
Molecular FormulaC30H33NO4
Molecular Weight471.60 g/mol
Exact Mass471.24
IUPAC Namecyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SMILESCCc1ccc(C2CC(=O)C3=C(C2)N=C(C)C(C(=O)OC2CCCC2)C3c2cccc(O)c2)cc1
InChIInChI=1S/C30H33NO4/c1-3-19-11-13-20(14-12-19)22-16-25-29(26(33)17-22)28(21-7-6-8-23(32)15-21)27(18(2)31-25)30(34)35-24-9-4-5-10-24/h6-8,11-15,22,24,27-28,32H,3-5,9-10,16-17H2,1-2H3
InChIKeyWLXTTXNRRALINX-UHFFFAOYSA-N
XLogP6.02
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

cyclopentyl 7-(4-tert-butylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 90983974
cyclohexyl (4R,7S)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6966555
(1-carbamoylcyclopentyl) 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 91312101
ethyl 4-(3-hydroxyphenyl)-2-methyl-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 90745760
cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967157
cyclohexyl (4S,7S)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6969449
propyl (4R,7R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7090425
cyclopentyl (4R,7R)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968234
cyclohexyl (4R,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6969446
cyclohexyl (4R,7R)-4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7894760
cyclohexyl (4S,7S)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7869965
cyclopentyl 7-(3,5-dichloro-4-pyridinyl)-2-ethyl-4-(3-hydroxyphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 91447394

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The IUPAC name of cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (CID 91589266) is cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.
What is the SMILES notation for cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The canonical SMILES for cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is CCc1ccc(C2CC(=O)C3=C(C2)N=C(C)C(C(=O)OC2CCCC2)C3c2cccc(O)c2)cc1.
What is the InChIKey of cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The InChIKey is WLXTTXNRRALINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO4/c1-3-19-11-13-20(14-12-19)22-16-25-29(26(33)17-22)28(21-7-6-8-23(32)15-21)27(18(2)31-25)30(34)35-24-9-4-5-10-24/h6-8,11-15,22,24,27-28,32H,3-5,9-10,16-17H2,1-2H3.
What are the key properties of cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate has a molecular weight of 471.60 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 7-(4-ethylphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is sourced from PubChem (CID 91589266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).