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

C23H29NO — CID 118731611

IUPAC1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol
SMILESCCCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
InChIInChI=1S/C23H29NO/c1-2-5-22(25)21-11-19(18-6-3-4-7-20(18)24-21)23-12-15-8-16(13-23)10-17(9-15)14-23/h3-4,6-7,11,15-17,22,25H,2,5,8-10,12-14H2,1H3
InChIKeyUFEUZKBTJUJCSB-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.54
Rot. Bonds4

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

1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol (PubChem CID 118731611) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol
PubChem CID118731611
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol
SMILESCCCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
InChIInChI=1S/C23H29NO/c1-2-5-22(25)21-11-19(18-6-3-4-7-20(18)24-21)23-12-15-8-16(13-23)10-17(9-15)14-23/h3-4,6-7,11,15-17,22,25H,2,5,8-10,12-14H2,1H3
InChIKeyUFEUZKBTJUJCSB-UHFFFAOYSA-N
XLogP5.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol?
The IUPAC name of 1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol (CID 118731611) is 1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol.
What is the SMILES notation for 1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol?
The canonical SMILES for 1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol is CCCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1.
What is the InChIKey of 1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol?
The InChIKey is UFEUZKBTJUJCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-2-5-22(25)21-11-19(18-6-3-4-7-20(18)24-21)23-12-15-8-16(13-23)10-17(9-15)14-23/h3-4,6-7,11,15-17,22,25H,2,5,8-10,12-14H2,1H3.
What are the key properties of 1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol?
1-[4-(1-adamantyl)quinolin-2-yl]butan-1-ol has a molecular weight of 335.49 g/mol, XLogP of 5.54, 4 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]butan-1-ol is sourced from PubChem (CID 118731611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).