methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate

C19H22FNO2 — CID 137389642

IUPACmethyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate
SMILESCOC(=O)[C@H](C)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H22FNO2/c1-12(19(22)23-2)13-3-5-14(6-4-13)16-9-10-21-18-8-7-15(20)11-17(16)18/h7-14H,3-6H2,1-2H3/t12-,13?,14?/m1/s1
InChIKeyTYBPVPCIESGDLM-IYXRBSQSSA-N
MW315.39 g/mol
LogP4.46
Rot. Bonds3

About methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate

methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate (PubChem CID 137389642) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate
PubChem CID137389642
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Namemethyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate
SMILESCOC(=O)[C@H](C)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H22FNO2/c1-12(19(22)23-2)13-3-5-14(6-4-13)16-9-10-21-18-8-7-15(20)11-17(16)18/h7-14H,3-6H2,1-2H3/t12-,13?,14?/m1/s1
InChIKeyTYBPVPCIESGDLM-IYXRBSQSSA-N
XLogP4.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate?
The IUPAC name of methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate (CID 137389642) is methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate?
The canonical SMILES for methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate is COC(=O)[C@H](C)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate?
The InChIKey is TYBPVPCIESGDLM-IYXRBSQSSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-12(19(22)23-2)13-3-5-14(6-4-13)16-9-10-21-18-8-7-15(20)11-17(16)18/h7-14H,3-6H2,1-2H3/t12-,13?,14?/m1/s1.
What are the key properties of methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate?
methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate has a molecular weight of 315.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate is sourced from PubChem (CID 137389642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).