8-(2-methylprop-2-enyl)quinoline

C13H13N — CID 142452195

IUPAC8-(2-methylprop-2-enyl)quinoline
SMILESC=C(C)Cc1cccc2cccnc12
InChIInChI=1S/C13H13N/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12/h3-8H,1,9H2,2H3
InChIKeySKEGCRGUFXBDFR-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.35
Rot. Bonds2

About 8-(2-methylprop-2-enyl)quinoline

8-(2-methylprop-2-enyl)quinoline (PubChem CID 142452195) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 8-(2-methylprop-2-enyl)quinoline.

Molecular Properties

Compound Name8-(2-methylprop-2-enyl)quinoline
PubChem CID142452195
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name8-(2-methylprop-2-enyl)quinoline
SMILESC=C(C)Cc1cccc2cccnc12
InChIInChI=1S/C13H13N/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12/h3-8H,1,9H2,2H3
InChIKeySKEGCRGUFXBDFR-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

aluminum quinolin-8-ylmethanol
CID 23124809
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
ethyl 2-quinolin-8-ylacetate
CID 52562898
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol
CID 103993618
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
1-quinolin-8-ylpropan-2-amine
CID 63968867
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
8-but-2-ynylquinoline
CID 134164519
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylprop-2-enyl)quinoline?
The IUPAC name of 8-(2-methylprop-2-enyl)quinoline (CID 142452195) is 8-(2-methylprop-2-enyl)quinoline.
What is the SMILES notation for 8-(2-methylprop-2-enyl)quinoline?
The canonical SMILES for 8-(2-methylprop-2-enyl)quinoline is C=C(C)Cc1cccc2cccnc12.
What is the InChIKey of 8-(2-methylprop-2-enyl)quinoline?
The InChIKey is SKEGCRGUFXBDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12/h3-8H,1,9H2,2H3.
What are the key properties of 8-(2-methylprop-2-enyl)quinoline?
8-(2-methylprop-2-enyl)quinoline has a molecular weight of 183.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylprop-2-enyl)quinoline is sourced from PubChem (CID 142452195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).