3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline

C17H17N — CID 143380656

IUPAC3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline
SMILESC=C/C=C(\C=C)Cc1cc2ccccc2nc1C
InChIInChI=1S/C17H17N/c1-4-8-14(5-2)11-16-12-15-9-6-7-10-17(15)18-13(16)3/h4-10,12H,1-2,11H2,3H3/b14-8+
InChIKeyKLRQCTIONYXISE-RIYZIHGNSA-N
MW235.33 g/mol
LogP4.38
Rot. Bonds4

About 3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline

3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline (PubChem CID 143380656) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline.

Molecular Properties

Compound Name3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline
PubChem CID143380656
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline
SMILESC=C/C=C(\C=C)Cc1cc2ccccc2nc1C
InChIInChI=1S/C17H17N/c1-4-8-14(5-2)11-16-12-15-9-6-7-10-17(15)18-13(16)3/h4-10,12H,1-2,11H2,3H3/b14-8+
InChIKeyKLRQCTIONYXISE-RIYZIHGNSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.38
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

2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline
CID 142908128
ethane;2-[(2-methylquinolin-3-yl)methyl]aniline
CID 160973858
2-methyl-3-[(2-methylphenyl)methoxymethyl]quinoline
CID 132570720
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
CID 145283971
3-[4-[3-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-methylquinoline
CID 144734308
3-tert-butyl-2-methylquinoline
CID 89390827
3-prop-2-enylquinolin-2-amine;hydrochloride
CID 69457689
2,3-dimethylpyrazino[2,3-b]phenazine
CID 101041837
4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-2,9-dimethyl-7-phenyl-1,10-phenanthroline
CID 143152848
2-(2-methylquinolin-3-yl)aniline
CID 164679220
3-ethyl-2-methylquinolin-7-ol
CID 174861386
acridine;ethane
CID 123684759

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline?
The IUPAC name of 3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline (CID 143380656) is 3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline.
What is the SMILES notation for 3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline?
The canonical SMILES for 3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline is C=C/C=C(\C=C)Cc1cc2ccccc2nc1C.
What is the InChIKey of 3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline?
The InChIKey is KLRQCTIONYXISE-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H17N/c1-4-8-14(5-2)11-16-12-15-9-6-7-10-17(15)18-13(16)3/h4-10,12H,1-2,11H2,3H3/b14-8+.
What are the key properties of 3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline?
3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline has a molecular weight of 235.33 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline is sourced from PubChem (CID 143380656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).