5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine

C19H17N3O — CID 118336920

IUPAC5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine
SMILESCOc1ccc2nc(/C=C/C=C/c3ccc(N)nc3)ccc2c1
InChIInChI=1S/C19H17N3O/c1-23-17-9-10-18-15(12-17)7-8-16(22-18)5-3-2-4-14-6-11-19(20)21-13-14/h2-13H,1H3,(H2,20,21)/b4-2+,5-3+
InChIKeyXNERGYPZUUQNEG-ZUVMSYQZSA-N
MW303.37 g/mol
LogP3.95
Rot. Bonds4

About 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine

5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine (PubChem CID 118336920) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine
PubChem CID118336920
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine
SMILESCOc1ccc2nc(/C=C/C=C/c3ccc(N)nc3)ccc2c1
InChIInChI=1S/C19H17N3O/c1-23-17-9-10-18-15(12-17)7-8-16(22-18)5-3-2-4-14-6-11-19(20)21-13-14/h2-13H,1H3,(H2,20,21)/b4-2+,5-3+
InChIKeyXNERGYPZUUQNEG-ZUVMSYQZSA-N
XLogP3.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine with MolForge

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Related Compounds

6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
3-(6-methoxyquinolin-2-yl)prop-2-enamide
CID 175848652
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713
6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 166708097
4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile
CID 59562152
[(E,2Z)-2-(aminomethylidene)-4-(6-amino-3-pyridinyl)-1-(6-methoxy-1H-benzimidazol-2-yl)but-3-enylidene]azanium
CID 143659014
6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline
CID 130185200
(6-methoxyquinolin-2-yl)methanamine;dihydrochloride
CID 47002728
2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine
CID 87145440
5-(2-methoxyquinolin-6-yl)pyridin-2-amine
CID 14220984
1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one
CID 156903673

Frequently Asked Questions

What is the IUPAC name of 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine?
The IUPAC name of 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine (CID 118336920) is 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine.
What is the SMILES notation for 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine?
The canonical SMILES for 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine is COc1ccc2nc(/C=C/C=C/c3ccc(N)nc3)ccc2c1.
What is the InChIKey of 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine?
The InChIKey is XNERGYPZUUQNEG-ZUVMSYQZSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-17-9-10-18-15(12-17)7-8-16(22-18)5-3-2-4-14-6-11-19(20)21-13-14/h2-13H,1H3,(H2,20,21)/b4-2+,5-3+.
What are the key properties of 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine?
5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine has a molecular weight of 303.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine is sourced from PubChem (CID 118336920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).