7-prop-1-ynylquinoline

C12H9N — CID 91238041

IUPAC7-prop-1-ynylquinoline
SMILESCC#Cc1ccc2cccnc2c1
InChIInChI=1S/C12H9N/c1-2-4-10-6-7-11-5-3-8-13-12(11)9-10/h3,5-9H,1H3
InChIKeyWXNVAXPEUFPMHR-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.61
Rot. Bonds

About 7-prop-1-ynylquinoline

7-prop-1-ynylquinoline (PubChem CID 91238041) has the molecular formula C12H9N and a molecular weight of 167.21 g/mol. Its IUPAC name is 7-prop-1-ynylquinoline.

Molecular Properties

Compound Name7-prop-1-ynylquinoline
PubChem CID91238041
Molecular FormulaC12H9N
Molecular Weight167.21 g/mol
Exact Mass167.07
IUPAC Name7-prop-1-ynylquinoline
SMILESCC#Cc1ccc2cccnc2c1
InChIInChI=1S/C12H9N/c1-2-4-10-6-7-11-5-3-8-13-12(11)9-10/h3,5-9H,1H3
InChIKeyWXNVAXPEUFPMHR-UHFFFAOYSA-N
XLogP2.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.61
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

trimethyl(2-quinolin-7-ylethynyl)silane
CID 18931459
7-(2-phenylethynyl)quinoline
CID 101476141
6-[2-(4-methylphenyl)ethynyl]quinoline
CID 58362500
ethane;quinolin-7-ol
CID 143537862
2,4-bis(prop-1-ynyl)pyridine
CID 22058395
7-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607595
quinolin-7-ol;sulfane
CID 174825329
CID 174859636
CID 174859636
phenyl(quinolin-7-yl)diazene
CID 555553
quinoline
CID 76974643
quinoline;tetramethylsilane
CID 91292784
7-isocyanatoquinoline
CID 164643475

Frequently Asked Questions

What is the IUPAC name of 7-prop-1-ynylquinoline?
The IUPAC name of 7-prop-1-ynylquinoline (CID 91238041) is 7-prop-1-ynylquinoline.
What is the SMILES notation for 7-prop-1-ynylquinoline?
The canonical SMILES for 7-prop-1-ynylquinoline is CC#Cc1ccc2cccnc2c1.
What is the InChIKey of 7-prop-1-ynylquinoline?
The InChIKey is WXNVAXPEUFPMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N/c1-2-4-10-6-7-11-5-3-8-13-12(11)9-10/h3,5-9H,1H3.
What are the key properties of 7-prop-1-ynylquinoline?
7-prop-1-ynylquinoline has a molecular weight of 167.21 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-1-ynylquinoline is sourced from PubChem (CID 91238041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).