4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline

C22H28FN — CID 175384912

IUPAC4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
SMILESCC(C)(C)C1CC1C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C22H28FN/c1-22(2,3)20-13-18(20)15-6-4-14(5-7-15)17-10-11-24-21-9-8-16(23)12-19(17)21/h8-12,14-15,18,20H,4-7,13H2,1-3H3
InChIKeyYFGXXHYXCXWTOJ-UHFFFAOYSA-N
MW325.47 g/mol
LogP6.33
Rot. Bonds2

About 4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline

4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline (PubChem CID 175384912) has the molecular formula C22H28FN and a molecular weight of 325.47 g/mol. Its IUPAC name is 4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
PubChem CID175384912
Molecular FormulaC22H28FN
Molecular Weight325.47 g/mol
Exact Mass325.22
IUPAC Name4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
SMILESCC(C)(C)C1CC1C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C22H28FN/c1-22(2,3)20-13-18(20)15-6-4-14(5-7-15)17-10-11-24-21-9-8-16(23)12-19(17)21/h8-12,14-15,18,20H,4-7,13H2,1-3H3
InChIKeyYFGXXHYXCXWTOJ-UHFFFAOYSA-N
XLogP6.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.47
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 129088674
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
tert-butyl-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethylideneamino]-oxidosulfanium
CID 174048964
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
methyl 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-methylpropanoate
CID 155087696
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
6-fluoro-4-[4-(2-isocyanatoethyl)cyclohexyl]quinoline
CID 134284395

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline?
The IUPAC name of 4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline (CID 175384912) is 4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline?
The canonical SMILES for 4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline is CC(C)(C)C1CC1C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline?
The InChIKey is YFGXXHYXCXWTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN/c1-22(2,3)20-13-18(20)15-6-4-14(5-7-15)17-10-11-24-21-9-8-16(23)12-19(17)21/h8-12,14-15,18,20H,4-7,13H2,1-3H3.
What are the key properties of 4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline?
4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline has a molecular weight of 325.47 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline is sourced from PubChem (CID 175384912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).