tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate

C23H28FNO3 — CID 139512745

IUPACtert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(C2(O)CCC(c3ccnc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C23H28FNO3/c1-21(2,3)28-20(26)22(11-12-22)23(27)9-6-15(7-10-23)17-8-13-25-19-5-4-16(24)14-18(17)19/h4-5,8,13-15,27H,6-7,9-12H2,1-3H3
InChIKeyFIDABRGGLSLXQH-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.88
Rot. Bonds3

About tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate

tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate (PubChem CID 139512745) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate
PubChem CID139512745
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Nametert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(C2(O)CCC(c3ccnc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C23H28FNO3/c1-21(2,3)28-20(26)22(11-12-22)23(27)9-6-15(7-10-23)17-8-13-25-19-5-4-16(24)14-18(17)19/h4-5,8,13-15,27H,6-7,9-12H2,1-3H3
InChIKeyFIDABRGGLSLXQH-UHFFFAOYSA-N
XLogP4.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate
CID 139513228
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate
CID 155221481
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
methyl 2-[4-(6-fluoroquinolin-4-yl)cyclohexylidene]acetate
CID 138664999
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide
CID 142752025
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-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
tert-butyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazole-5-carboxylate
CID 138664306

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate (CID 139512745) is tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1(C2(O)CCC(c3ccnc4ccc(F)cc34)CC2)CC1.
What is the InChIKey of tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate?
The InChIKey is FIDABRGGLSLXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-21(2,3)28-20(26)22(11-12-22)23(27)9-6-15(7-10-23)17-8-13-25-19-5-4-16(24)14-18(17)19/h4-5,8,13-15,27H,6-7,9-12H2,1-3H3.
What are the key properties of tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate?
tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate has a molecular weight of 385.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 139512745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).