1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol

C24H31NO — CID 118731605

IUPAC1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol
SMILESCCCCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
InChIInChI=1S/C24H31NO/c1-2-3-8-23(26)22-12-20(19-6-4-5-7-21(19)25-22)24-13-16-9-17(14-24)11-18(10-16)15-24/h4-7,12,16-18,23,26H,2-3,8-11,13-15H2,1H3
InChIKeyQKEJACMJNKZASB-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.93
Rot. Bonds5

About 1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol

1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol (PubChem CID 118731605) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol.

Molecular Properties

Compound Name1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol
PubChem CID118731605
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol
SMILESCCCCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
InChIInChI=1S/C24H31NO/c1-2-3-8-23(26)22-12-20(19-6-4-5-7-21(19)25-22)24-13-16-9-17(14-24)11-18(10-16)15-24/h4-7,12,16-18,23,26H,2-3,8-11,13-15H2,1H3
InChIKeyQKEJACMJNKZASB-UHFFFAOYSA-N
XLogP5.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol?
The IUPAC name of 1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol (CID 118731605) is 1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol.
What is the SMILES notation for 1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol?
The canonical SMILES for 1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol is CCCCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1.
What is the InChIKey of 1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol?
The InChIKey is QKEJACMJNKZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-2-3-8-23(26)22-12-20(19-6-4-5-7-21(19)25-22)24-13-16-9-17(14-24)11-18(10-16)15-24/h4-7,12,16-18,23,26H,2-3,8-11,13-15H2,1H3.
What are the key properties of 1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol?
1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol has a molecular weight of 349.52 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-adamantyl)quinolin-2-yl]pentan-1-ol is sourced from PubChem (CID 118731605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).