6-but-3-enyl-6-methyl-7H-quinoline

C14H17N — CID 134287844

IUPAC6-but-3-enyl-6-methyl-7H-quinoline
SMILESC=CCCC1(C)C=c2cccnc2=CC1
InChIInChI=1S/C14H17N/c1-3-4-8-14(2)9-7-13-12(11-14)6-5-10-15-13/h3,5-7,10-11H,1,4,8-9H2,2H3
InChIKeyVWIMFXZGEJQQNK-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.02
Rot. Bonds3

About 6-but-3-enyl-6-methyl-7H-quinoline

6-but-3-enyl-6-methyl-7H-quinoline (PubChem CID 134287844) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 6-but-3-enyl-6-methyl-7H-quinoline.

Molecular Properties

Compound Name6-but-3-enyl-6-methyl-7H-quinoline
PubChem CID134287844
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name6-but-3-enyl-6-methyl-7H-quinoline
SMILESC=CCCC1(C)C=c2cccnc2=CC1
InChIInChI=1S/C14H17N/c1-3-4-8-14(2)9-7-13-12(11-14)6-5-10-15-13/h3,5-7,10-11H,1,4,8-9H2,2H3
InChIKeyVWIMFXZGEJQQNK-UHFFFAOYSA-N
XLogP2.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-6-methyl-7H-quinoline?
The IUPAC name of 6-but-3-enyl-6-methyl-7H-quinoline (CID 134287844) is 6-but-3-enyl-6-methyl-7H-quinoline.
What is the SMILES notation for 6-but-3-enyl-6-methyl-7H-quinoline?
The canonical SMILES for 6-but-3-enyl-6-methyl-7H-quinoline is C=CCCC1(C)C=c2cccnc2=CC1.
What is the InChIKey of 6-but-3-enyl-6-methyl-7H-quinoline?
The InChIKey is VWIMFXZGEJQQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-4-8-14(2)9-7-13-12(11-14)6-5-10-15-13/h3,5-7,10-11H,1,4,8-9H2,2H3.
What are the key properties of 6-but-3-enyl-6-methyl-7H-quinoline?
6-but-3-enyl-6-methyl-7H-quinoline has a molecular weight of 199.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-6-methyl-7H-quinoline is sourced from PubChem (CID 134287844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).