2-methyl-4-(2-methylbut-2-enyl)quinoline

C15H17N — CID 123480246

IUPAC2-methyl-4-(2-methylbut-2-enyl)quinoline
SMILESCC=C(C)Cc1cc(C)nc2ccccc12
InChIInChI=1S/C15H17N/c1-4-11(2)9-13-10-12(3)16-15-8-6-5-7-14(13)15/h4-8,10H,9H2,1-3H3
InChIKeyXKZSXRMUGWIUFY-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.05
Rot. Bonds2

About 2-methyl-4-(2-methylbut-2-enyl)quinoline

2-methyl-4-(2-methylbut-2-enyl)quinoline (PubChem CID 123480246) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-4-(2-methylbut-2-enyl)quinoline.

Molecular Properties

Compound Name2-methyl-4-(2-methylbut-2-enyl)quinoline
PubChem CID123480246
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name2-methyl-4-(2-methylbut-2-enyl)quinoline
SMILESCC=C(C)Cc1cc(C)nc2ccccc12
InChIInChI=1S/C15H17N/c1-4-11(2)9-13-10-12(3)16-15-8-6-5-7-14(13)15/h4-8,10H,9H2,1-3H3
InChIKeyXKZSXRMUGWIUFY-UHFFFAOYSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.05
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

2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
(2-methylquinolin-4-yl)methanethiol
CID 79885955
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline
CID 79324274
4-(isocyanomethyl)-2-methylquinoline
CID 83482593
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
CID 79234871
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
2-methyl-4-prop-1-enylquinoline
CID 73094462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylbut-2-enyl)quinoline?
The IUPAC name of 2-methyl-4-(2-methylbut-2-enyl)quinoline (CID 123480246) is 2-methyl-4-(2-methylbut-2-enyl)quinoline.
What is the SMILES notation for 2-methyl-4-(2-methylbut-2-enyl)quinoline?
The canonical SMILES for 2-methyl-4-(2-methylbut-2-enyl)quinoline is CC=C(C)Cc1cc(C)nc2ccccc12.
What is the InChIKey of 2-methyl-4-(2-methylbut-2-enyl)quinoline?
The InChIKey is XKZSXRMUGWIUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-4-11(2)9-13-10-12(3)16-15-8-6-5-7-14(13)15/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylbut-2-enyl)quinoline?
2-methyl-4-(2-methylbut-2-enyl)quinoline has a molecular weight of 211.31 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylbut-2-enyl)quinoline is sourced from PubChem (CID 123480246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).