ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate

C18H20FNO2 — CID 142597322

IUPACethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(c2ccnc3ccc(F)cc23)CCCCC1
InChIInChI=1S/C18H20FNO2/c1-2-22-17(21)18(9-4-3-5-10-18)15-8-11-20-16-7-6-13(19)12-14(15)16/h6-8,11-12H,2-5,9-10H2,1H3
InChIKeyHPPAKCSDFCPFKG-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.14
Rot. Bonds3

About ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate

ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate (PubChem CID 142597322) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate
PubChem CID142597322
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Nameethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(c2ccnc3ccc(F)cc23)CCCCC1
InChIInChI=1S/C18H20FNO2/c1-2-22-17(21)18(9-4-3-5-10-18)15-8-11-20-16-7-6-13(19)12-14(15)16/h6-8,11-12H,2-5,9-10H2,1H3
InChIKeyHPPAKCSDFCPFKG-UHFFFAOYSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate
CID 155221481
4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one
CID 155221485
ethyl 2-[(1R,2S)-2-(6-fluoroquinolin-4-yl)cyclopentyl]-2-oxoacetate
CID 155087986
ethyl 2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]propanoate
CID 155016691
ethyl 2-[(3aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-methylpropanoate
CID 155016727
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
ethyl 1-[6-(trifluoromethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylate
CID 86291823
ethyl 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480052
methyl 1-quinolin-4-ylcyclopropane-1-carboxylate
CID 116985439
ethyl 1-(6-hydroxy-1H-benzimidazol-2-yl)cyclohexane-1-carboxylate
CID 81431080
ethyl 3-cyano-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate
CID 142471221

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate (CID 142597322) is ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate is CCOC(=O)C1(c2ccnc3ccc(F)cc23)CCCCC1.
What is the InChIKey of ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate?
The InChIKey is HPPAKCSDFCPFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-2-22-17(21)18(9-4-3-5-10-18)15-8-11-20-16-7-6-13(19)12-14(15)16/h6-8,11-12H,2-5,9-10H2,1H3.
What are the key properties of ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate?
ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate has a molecular weight of 301.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 142597322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).