8-but-2-ynylquinoline

C13H11N — CID 134164519

IUPAC8-but-2-ynylquinoline
SMILESCC#CCc1cccc2cccnc12
InChIInChI=1S/C13H11N/c1-2-3-6-11-7-4-8-12-9-5-10-14-13(11)12/h4-5,7-10H,6H2,1H3
InChIKeyQTXRQSDFQCLUAP-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.80
Rot. Bonds1

About 8-but-2-ynylquinoline

8-but-2-ynylquinoline (PubChem CID 134164519) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 8-but-2-ynylquinoline.

Molecular Properties

Compound Name8-but-2-ynylquinoline
PubChem CID134164519
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name8-but-2-ynylquinoline
SMILESCC#CCc1cccc2cccnc12
InChIInChI=1S/C13H11N/c1-2-3-6-11-7-4-8-12-9-5-10-14-13(11)12/h4-5,7-10H,6H2,1H3
InChIKeyQTXRQSDFQCLUAP-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
aluminum quinolin-8-ylmethanol
CID 23124809
8-(2-methylprop-2-enyl)quinoline
CID 142452195
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
1-quinolin-8-ylpropan-2-amine
CID 63968867
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005
1-quinolin-8-ylhex-4-ynylhydrazine
CID 105334997

Frequently Asked Questions

What is the IUPAC name of 8-but-2-ynylquinoline?
The IUPAC name of 8-but-2-ynylquinoline (CID 134164519) is 8-but-2-ynylquinoline.
What is the SMILES notation for 8-but-2-ynylquinoline?
The canonical SMILES for 8-but-2-ynylquinoline is CC#CCc1cccc2cccnc12.
What is the InChIKey of 8-but-2-ynylquinoline?
The InChIKey is QTXRQSDFQCLUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-2-3-6-11-7-4-8-12-9-5-10-14-13(11)12/h4-5,7-10H,6H2,1H3.
What are the key properties of 8-but-2-ynylquinoline?
8-but-2-ynylquinoline has a molecular weight of 181.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-2-ynylquinoline is sourced from PubChem (CID 134164519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).