ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate

C24H31NO4 — CID 123517678

IUPACethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C=Cc2ccc3ccc(C(O)C(C)C)nc3c2)CCC(O)CC1
InChIInChI=1S/C24H31NO4/c1-4-29-23(28)24(13-10-19(26)11-14-24)12-9-17-5-6-18-7-8-20(22(27)16(2)3)25-21(18)15-17/h5-9,12,15-16,19,22,26-27H,4,10-11,13-14H2,1-3H3
InChIKeyBNHVAGAZHFYZFQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.42
Rot. Bonds6

About ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate

ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate (PubChem CID 123517678) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate
PubChem CID123517678
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Nameethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C=Cc2ccc3ccc(C(O)C(C)C)nc3c2)CCC(O)CC1
InChIInChI=1S/C24H31NO4/c1-4-29-23(28)24(13-10-19(26)11-14-24)12-9-17-5-6-18-7-8-20(22(27)16(2)3)25-21(18)15-17/h5-9,12,15-16,19,22,26-27H,4,10-11,13-14H2,1-3H3
InChIKeyBNHVAGAZHFYZFQ-UHFFFAOYSA-N
XLogP4.42
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

ethyl 4-oxo-1-[(E)-2-(2-propan-2-ylquinolin-7-yl)ethenyl]cyclohexane-1-carboxylate
CID 118175814
ethyl 4-[(E)-2-[2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinolin-7-yl]ethenyl]piperidine-4-carboxylate
CID 146244883
methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate
CID 123845261
4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-(2-methylbutan-2-yloxycarbonyl)piperidine-4-carboxylic acid
CID 123446516
5-[(E)-2-[2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinolin-7-yl]ethenyl]-1,3-dioxane-5-carboxylic acid
CID 118175765
methyl (E)-4-[2-[(1R)-1-aminoethyl]quinolin-7-yl]-2,2-dimethylbut-3-enoate;hydrochloride
CID 86709705
2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[(2S)-2-[[1-[2-[2-[(1R)-1-[[(R)-tert-butylsulfinyl]amino]ethyl]quinolin-7-yl]ethenyl]-4,4-difluorocyclohexanecarbonyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 123604242
[1-[2-[2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinolin-7-yl]ethenyl]-4-oxocyclohexyl] formate
CID 123459002
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927
ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate
CID 58597127
methyl 1-[2-[[2-[[5-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-2,2-dimethyl-1,3-dioxane-5-carbonyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 123903442
ethyl 2-[hydroxy-(2-methylquinolin-6-yl)methyl]butanoate
CID 105379517

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate (CID 123517678) is ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate is CCOC(=O)C1(C=Cc2ccc3ccc(C(O)C(C)C)nc3c2)CCC(O)CC1.
What is the InChIKey of ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate?
The InChIKey is BNHVAGAZHFYZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-4-29-23(28)24(13-10-19(26)11-14-24)12-9-17-5-6-18-7-8-20(22(27)16(2)3)25-21(18)15-17/h5-9,12,15-16,19,22,26-27H,4,10-11,13-14H2,1-3H3.
What are the key properties of ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate?
ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate has a molecular weight of 397.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 123517678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).