4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline

C27H28FN — CID 175040529

IUPAC4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
SMILESC[C@@H](C1=Cc2ccccc2CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C27H28FN/c1-18(22-11-8-20-4-2-3-5-23(20)16-22)19-6-9-21(10-7-19)25-14-15-29-27-13-12-24(28)17-26(25)27/h2-5,12-19,21H,6-11H2,1H3/t18-,19?,21?/m1/s1
InChIKeyNCNAKJJWGRAMFE-LWEYNCJUSA-N
MW385.53 g/mol
LogP7.31
Rot. Bonds3

About 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline

4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline (PubChem CID 175040529) has the molecular formula C27H28FN and a molecular weight of 385.53 g/mol. Its IUPAC name is 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
PubChem CID175040529
Molecular FormulaC27H28FN
Molecular Weight385.53 g/mol
Exact Mass385.22
IUPAC Name4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
SMILESC[C@@H](C1=Cc2ccccc2CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C27H28FN/c1-18(22-11-8-20-4-2-3-5-23(20)16-22)19-6-9-21(10-7-19)25-14-15-29-27-13-12-24(28)17-26(25)27/h2-5,12-19,21H,6-11H2,1H3/t18-,19?,21?/m1/s1
InChIKeyNCNAKJJWGRAMFE-LWEYNCJUSA-N
XLogP7.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.53
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline with MolForge

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Related Compounds

6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline
CID 166746621
2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole
CID 162465058
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
4-[4-[(1S)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664417
5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine
CID 160727810
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)sulfanylethanamine
CID 145078456
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylpropanamide
CID 138595573
4-[4-[1-(4-chloro-6,7-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664525
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The IUPAC name of 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline (CID 175040529) is 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The canonical SMILES for 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline is C[C@@H](C1=Cc2ccccc2CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The InChIKey is NCNAKJJWGRAMFE-LWEYNCJUSA-N. The full InChI is InChI=1S/C27H28FN/c1-18(22-11-8-20-4-2-3-5-23(20)16-22)19-6-9-21(10-7-19)25-14-15-29-27-13-12-24(28)17-26(25)27/h2-5,12-19,21H,6-11H2,1H3/t18-,19?,21?/m1/s1.
What are the key properties of 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline has a molecular weight of 385.53 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline is sourced from PubChem (CID 175040529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).