2-(3-methylbuta-1,3-dienyl)quinoline

C14H13N — CID 1274018

IUPAC2-(3-methylbuta-1,3-dienyl)quinoline
SMILESC=C(C)C=Cc1ccc2ccccc2n1
InChIInChI=1S/C14H13N/c1-11(2)7-9-13-10-8-12-5-3-4-6-14(12)15-13/h3-10H,1H2,2H3
InChIKeyPHUZSKYJRUSIQB-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.82
Rot. Bonds2

About 2-(3-methylbuta-1,3-dienyl)quinoline

2-(3-methylbuta-1,3-dienyl)quinoline (PubChem CID 1274018) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(3-methylbuta-1,3-dienyl)quinoline.

Molecular Properties

Compound Name2-(3-methylbuta-1,3-dienyl)quinoline
PubChem CID1274018
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name2-(3-methylbuta-1,3-dienyl)quinoline
SMILESC=C(C)C=Cc1ccc2ccccc2n1
InChIInChI=1S/C14H13N/c1-11(2)7-9-13-10-8-12-5-3-4-6-14(12)15-13/h3-10H,1H2,2H3
InChIKeyPHUZSKYJRUSIQB-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

methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
[(2S)-3-oxobutan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate
CID 8851122
(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
CID 110486560
2-(2-chloroprop-1-enyl)quinoline
CID 173335992
(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
CID 66760009
1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
CID 74395294
methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate
CID 11139204
(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
CID 30282284
3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one
CID 126839455
(E)-1-[4-(4-acetylpiperazine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11718577
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline
CID 91436844

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbuta-1,3-dienyl)quinoline?
The IUPAC name of 2-(3-methylbuta-1,3-dienyl)quinoline (CID 1274018) is 2-(3-methylbuta-1,3-dienyl)quinoline.
What is the SMILES notation for 2-(3-methylbuta-1,3-dienyl)quinoline?
The canonical SMILES for 2-(3-methylbuta-1,3-dienyl)quinoline is C=C(C)C=Cc1ccc2ccccc2n1.
What is the InChIKey of 2-(3-methylbuta-1,3-dienyl)quinoline?
The InChIKey is PHUZSKYJRUSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-11(2)7-9-13-10-8-12-5-3-4-6-14(12)15-13/h3-10H,1H2,2H3.
What are the key properties of 2-(3-methylbuta-1,3-dienyl)quinoline?
2-(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 2-(3-methylbuta-1,3-dienyl)quinoline is sourced from PubChem (CID 1274018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).