ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate

C20H24FNO4 — CID 155221481

IUPACethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate
SMILESCCOC(=O)C(CO)C1(O)CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H24FNO4/c1-2-26-19(24)17(12-23)20(25)8-5-13(6-9-20)15-7-10-22-18-4-3-14(21)11-16(15)18/h3-4,7,10-11,13,17,23,25H,2,5-6,8-9,12H2,1H3
InChIKeyGMUMBWHCCPGZGH-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.93
Rot. Bonds5

About ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate

ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate (PubChem CID 155221481) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate
PubChem CID155221481
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Nameethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate
SMILESCCOC(=O)C(CO)C1(O)CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H24FNO4/c1-2-26-19(24)17(12-23)20(25)8-5-13(6-9-20)15-7-10-22-18-4-3-14(21)11-16(15)18/h3-4,7,10-11,13,17,23,25H,2,5-6,8-9,12H2,1H3
InChIKeyGMUMBWHCCPGZGH-UHFFFAOYSA-N
XLogP2.93
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
ethyl 3-cyano-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate
CID 142471221
ethyl 2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]propanoate
CID 155016691
tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate
CID 139512745
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
ethyl 2-[(3aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-methylpropanoate
CID 155016727
ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
CID 134203331
ethyl 2-[(1R,2S)-2-(6-fluoroquinolin-4-yl)cyclopentyl]-2-oxoacetate
CID 155087986
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate?
The IUPAC name of ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate (CID 155221481) is ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate.
What is the SMILES notation for ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate?
The canonical SMILES for ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate is CCOC(=O)C(CO)C1(O)CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate?
The InChIKey is GMUMBWHCCPGZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-2-26-19(24)17(12-23)20(25)8-5-13(6-9-20)15-7-10-22-18-4-3-14(21)11-16(15)18/h3-4,7,10-11,13,17,23,25H,2,5-6,8-9,12H2,1H3.
What are the key properties of ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate?
ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate has a molecular weight of 361.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate is sourced from PubChem (CID 155221481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).