6-ethynyl-2-phenylquinoline

C17H11N — CID 174753499

IUPAC6-ethynyl-2-phenylquinoline
SMILESC#Cc1ccc2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C17H11N/c1-2-13-8-10-17-15(12-13)9-11-16(18-17)14-6-4-3-5-7-14/h1,3-12H
InChIKeySPZRHXVCSKJIHS-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.88
Rot. Bonds1

About 6-ethynyl-2-phenylquinoline

6-ethynyl-2-phenylquinoline (PubChem CID 174753499) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-ethynyl-2-phenylquinoline.

Molecular Properties

Compound Name6-ethynyl-2-phenylquinoline
PubChem CID174753499
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC Name6-ethynyl-2-phenylquinoline
SMILESC#Cc1ccc2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C17H11N/c1-2-13-8-10-17-15(12-13)9-11-16(18-17)14-6-4-3-5-7-14/h1,3-12H
InChIKeySPZRHXVCSKJIHS-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.88
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

2-phenylbenzo[g]quinoline
CID 45113076
iridium;tris(2-phenylquinoline)
CID 122129463
6-(4-fluorophenyl)-2-phenylquinoline
CID 122365285
(6-ethynylquinolin-2-yl)methanamine
CID 150208190
dichloroplatinum;2-phenylquinoline
CID 175341425
(2-phenylquinolin-6-yl)urea
CID 54532809
6-phenyl-2-(2-phenylphenyl)quinoline
CID 141343784
N-methyl-2-phenylquinolin-7-amine
CID 142776720
6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene
CID 140693393
6-phenyl-[1,3]dioxolo[4,5-g]quinoline
CID 11953752
6-ethynyl-2-methylquinazoline
CID 143712474
2-amino-3-(2-phenylquinolin-6-yl)propanoic acid
CID 90896454

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-2-phenylquinoline?
The IUPAC name of 6-ethynyl-2-phenylquinoline (CID 174753499) is 6-ethynyl-2-phenylquinoline.
What is the SMILES notation for 6-ethynyl-2-phenylquinoline?
The canonical SMILES for 6-ethynyl-2-phenylquinoline is C#Cc1ccc2nc(-c3ccccc3)ccc2c1.
What is the InChIKey of 6-ethynyl-2-phenylquinoline?
The InChIKey is SPZRHXVCSKJIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N/c1-2-13-8-10-17-15(12-13)9-11-16(18-17)14-6-4-3-5-7-14/h1,3-12H.
What are the key properties of 6-ethynyl-2-phenylquinoline?
6-ethynyl-2-phenylquinoline has a molecular weight of 229.28 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-2-phenylquinoline is sourced from PubChem (CID 174753499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).