1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid

C19H20FNO2 — CID 138577002

IUPAC1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C2CCC(c3ccnc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C19H20FNO2/c20-14-5-6-17-16(11-14)15(7-10-21-17)12-1-3-13(4-2-12)19(8-9-19)18(22)23/h5-7,10-13H,1-4,8-9H2,(H,22,23)
InChIKeyCSNGIWNJLKSZGS-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.51
Rot. Bonds3

About 1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid

1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid (PubChem CID 138577002) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
PubChem CID138577002
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C2CCC(c3ccnc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C19H20FNO2/c20-14-5-6-17-16(11-14)15(7-10-21-17)12-1-3-13(4-2-12)19(8-9-19)18(22)23/h5-7,10-13H,1-4,8-9H2,(H,22,23)
InChIKeyCSNGIWNJLKSZGS-UHFFFAOYSA-N
XLogP4.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646245
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide
CID 139408558
ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate
CID 155221481
(3S)-N-(4-cyclopropylphenyl)-7-(6-fluoroquinolin-4-yl)spiro[3.5]nonane-3-carboxamide
CID 138577029
tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate
CID 139512745

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid (CID 138577002) is 1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C2CCC(c3ccnc4ccc(F)cc34)CC2)CC1.
What is the InChIKey of 1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid?
The InChIKey is CSNGIWNJLKSZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-14-5-6-17-16(11-14)15(7-10-21-17)12-1-3-13(4-2-12)19(8-9-19)18(22)23/h5-7,10-13H,1-4,8-9H2,(H,22,23).
What are the key properties of 1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid?
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid has a molecular weight of 313.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 138577002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).