4-(3-methylbuta-1,3-dienyl)quinoline

C14H13N — CID 123171644

IUPAC4-(3-methylbuta-1,3-dienyl)quinoline
SMILESC=C(C)C=Cc1ccnc2ccccc12
InChIInChI=1S/C14H13N/c1-11(2)7-8-12-9-10-15-14-6-4-3-5-13(12)14/h3-10H,1H2,2H3
InChIKeyIURVWOWVFRZGJI-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.82
Rot. Bonds2

About 4-(3-methylbuta-1,3-dienyl)quinoline

4-(3-methylbuta-1,3-dienyl)quinoline (PubChem CID 123171644) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(3-methylbuta-1,3-dienyl)quinoline.

Molecular Properties

Compound Name4-(3-methylbuta-1,3-dienyl)quinoline
PubChem CID123171644
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name4-(3-methylbuta-1,3-dienyl)quinoline
SMILESC=C(C)C=Cc1ccnc2ccccc12
InChIInChI=1S/C14H13N/c1-11(2)7-8-12-9-10-15-14-6-4-3-5-13(12)14/h3-10H,1H2,2H3
InChIKeyIURVWOWVFRZGJI-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-prop-1-enyl]quinoline
CID 89064507
(E)-3-quinolin-4-ylprop-2-en-1-ol
CID 22631016
4-[(E)-2-fluoroprop-1-enyl]quinoline
CID 173227101
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
(E)-3-quinolin-4-ylprop-2-enal
CID 10419846
[4-(2-quinolin-4-ylethenyl)phenyl] 2-methylprop-2-enoate
CID 67642665
(E)-1-(1-methylpyrazol-3-yl)-3-quinolin-4-ylprop-2-en-1-one
CID 19565455
(E)-1-(4-propan-2-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19557372
4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
CID 58870156
N-methyl-1-quinolin-4-ylmethanimine
CID 119086177
(Z)-3-quinolin-4-yl-1-thiophen-2-ylprop-2-en-1-one
CID 18532509
(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide
CID 97359293

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbuta-1,3-dienyl)quinoline?
The IUPAC name of 4-(3-methylbuta-1,3-dienyl)quinoline (CID 123171644) is 4-(3-methylbuta-1,3-dienyl)quinoline.
What is the SMILES notation for 4-(3-methylbuta-1,3-dienyl)quinoline?
The canonical SMILES for 4-(3-methylbuta-1,3-dienyl)quinoline is C=C(C)C=Cc1ccnc2ccccc12.
What is the InChIKey of 4-(3-methylbuta-1,3-dienyl)quinoline?
The InChIKey is IURVWOWVFRZGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-11(2)7-8-12-9-10-15-14-6-4-3-5-13(12)14/h3-10H,1H2,2H3.
What are the key properties of 4-(3-methylbuta-1,3-dienyl)quinoline?
4-(3-methylbuta-1,3-dienyl)quinoline has a molecular weight of 195.26 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbuta-1,3-dienyl)quinoline is sourced from PubChem (CID 123171644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).