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

C22H27NO — CID 118731610

IUPAC1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol
SMILESCCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
InChIInChI=1S/C22H27NO/c1-2-21(24)20-10-18(17-5-3-4-6-19(17)23-20)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,10,14-16,21,24H,2,7-9,11-13H2,1H3
InChIKeyBGDIDDBBKVBDEY-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.15
Rot. Bonds3

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

1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol (PubChem CID 118731610) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol
PubChem CID118731610
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol
SMILESCCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
InChIInChI=1S/C22H27NO/c1-2-21(24)20-10-18(17-5-3-4-6-19(17)23-20)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,10,14-16,21,24H,2,7-9,11-13H2,1H3
InChIKeyBGDIDDBBKVBDEY-UHFFFAOYSA-N
XLogP5.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.15
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]propan-1-ol?
The IUPAC name of 1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol (CID 118731610) is 1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol?
The canonical SMILES for 1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol is CCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1.
What is the InChIKey of 1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol?
The InChIKey is BGDIDDBBKVBDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-2-21(24)20-10-18(17-5-3-4-6-19(17)23-20)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,10,14-16,21,24H,2,7-9,11-13H2,1H3.
What are the key properties of 1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol?
1-[4-(1-adamantyl)quinolin-2-yl]propan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 5.15, 3 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]propan-1-ol is sourced from PubChem (CID 118731610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).