15-quinolin-2-ylpentadec-1-yn-3-ol

C24H33NO — CID 44612487

IUPAC15-quinolin-2-ylpentadec-1-yn-3-ol
SMILESC#CC(O)CCCCCCCCCCCCc1ccc2ccccc2n1
InChIInChI=1S/C24H33NO/c1-2-23(26)17-12-10-8-6-4-3-5-7-9-11-16-22-20-19-21-15-13-14-18-24(21)25-22/h1,13-15,18-20,23,26H,3-12,16-17H2
InChIKeyKFTUDUTVKGVXIL-UHFFFAOYSA-N
MW351.53 g/mol
LogP6.06
Rot. Bonds13

About 15-quinolin-2-ylpentadec-1-yn-3-ol

15-quinolin-2-ylpentadec-1-yn-3-ol (PubChem CID 44612487) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 15-quinolin-2-ylpentadec-1-yn-3-ol.

Molecular Properties

Compound Name15-quinolin-2-ylpentadec-1-yn-3-ol
PubChem CID44612487
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name15-quinolin-2-ylpentadec-1-yn-3-ol
SMILESC#CC(O)CCCCCCCCCCCCc1ccc2ccccc2n1
InChIInChI=1S/C24H33NO/c1-2-23(26)17-12-10-8-6-4-3-5-7-9-11-16-22-20-19-21-15-13-14-18-24(21)25-22/h1,13-15,18-20,23,26H,3-12,16-17H2
InChIKeyKFTUDUTVKGVXIL-UHFFFAOYSA-N
XLogP6.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
9-quinolin-2-ylnonan-1-ol
CID 19898716
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
13-quinolin-2-yltridecanal
CID 87258856
N-(quinolin-2-ylmethyl)hex-1-yn-3-amine
CID 106227146
2-[6-(2,3,5-trichlorophenyl)hexyl]quinoline
CID 158920701
7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol
CID 10092565
2-bromo-3-quinolin-2-ylpropan-1-ol
CID 119086865
2-(2-quinolin-2-ylethyl)phenol;hydrochloride
CID 90025480
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
CID 89210421
CID 89210421
O-(2-quinolin-2-ylethyl)hydroxylamine
CID 119091598

Frequently Asked Questions

What is the IUPAC name of 15-quinolin-2-ylpentadec-1-yn-3-ol?
The IUPAC name of 15-quinolin-2-ylpentadec-1-yn-3-ol (CID 44612487) is 15-quinolin-2-ylpentadec-1-yn-3-ol.
What is the SMILES notation for 15-quinolin-2-ylpentadec-1-yn-3-ol?
The canonical SMILES for 15-quinolin-2-ylpentadec-1-yn-3-ol is C#CC(O)CCCCCCCCCCCCc1ccc2ccccc2n1.
What is the InChIKey of 15-quinolin-2-ylpentadec-1-yn-3-ol?
The InChIKey is KFTUDUTVKGVXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-2-23(26)17-12-10-8-6-4-3-5-7-9-11-16-22-20-19-21-15-13-14-18-24(21)25-22/h1,13-15,18-20,23,26H,3-12,16-17H2.
What are the key properties of 15-quinolin-2-ylpentadec-1-yn-3-ol?
15-quinolin-2-ylpentadec-1-yn-3-ol has a molecular weight of 351.53 g/mol, XLogP of 6.06, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-quinolin-2-ylpentadec-1-yn-3-ol is sourced from PubChem (CID 44612487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).