[4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol

C26H26FNO — CID 118731608

IUPAC[4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
InChIInChI=1S/C26H26FNO/c27-20-7-5-19(6-8-20)25(29)24-12-22(21-3-1-2-4-23(21)28-24)26-13-16-9-17(14-26)11-18(10-16)15-26/h1-8,12,16-18,25,29H,9-11,13-15H2
InChIKeyMQOINVZJZSBUIS-UHFFFAOYSA-N
MW387.50 g/mol
LogP5.92
Rot. Bonds3

About [4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol

[4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol (PubChem CID 118731608) has the molecular formula C26H26FNO and a molecular weight of 387.50 g/mol. Its IUPAC name is [4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol
PubChem CID118731608
Molecular FormulaC26H26FNO
Molecular Weight387.50 g/mol
Exact Mass387.20
IUPAC Name[4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
InChIInChI=1S/C26H26FNO/c27-20-7-5-19(6-8-20)25(29)24-12-22(21-3-1-2-4-23(21)28-24)26-13-16-9-17(14-26)11-18(10-16)15-26/h1-8,12,16-18,25,29H,9-11,13-15H2
InChIKeyMQOINVZJZSBUIS-UHFFFAOYSA-N
XLogP5.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol (CID 118731608) is [4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1.
What is the InChIKey of [4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is MQOINVZJZSBUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO/c27-20-7-5-19(6-8-20)25(29)24-12-22(21-3-1-2-4-23(21)28-24)26-13-16-9-17(14-26)11-18(10-16)15-26/h1-8,12,16-18,25,29H,9-11,13-15H2.
What are the key properties of [4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol?
[4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol has a molecular weight of 387.50 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)quinolin-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 118731608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).