2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid

C19H22FNO3 — CID 121318207

IUPAC2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H22FNO3/c1-18(2,17(22)23)19(24)8-5-12(6-9-19)14-7-10-21-16-4-3-13(20)11-15(14)16/h3-4,7,10-12,24H,5-6,8-9H2,1-2H3,(H,22,23)
InChIKeyUTPVEUIDLGTMIC-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.87
Rot. Bonds3

About 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid

2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid (PubChem CID 121318207) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
PubChem CID121318207
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H22FNO3/c1-18(2,17(22)23)19(24)8-5-12(6-9-19)14-7-10-21-16-4-3-13(20)11-15(14)16/h3-4,7,10-12,24H,5-6,8-9H2,1-2H3,(H,22,23)
InChIKeyUTPVEUIDLGTMIC-UHFFFAOYSA-N
XLogP3.87
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate
CID 155221481
7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide
CID 139429288
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
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 155419707
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
CID 175384912
2-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2,2-difluoroacetic acid
CID 155087987

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid (CID 121318207) is 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1(O)CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid?
The InChIKey is UTPVEUIDLGTMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-18(2,17(22)23)19(24)8-5-12(6-9-19)14-7-10-21-16-4-3-13(20)11-15(14)16/h3-4,7,10-12,24H,5-6,8-9H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid?
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid has a molecular weight of 331.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid is sourced from PubChem (CID 121318207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).