7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine

C17H19BrN2 — CID 142548955

IUPAC7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine
SMILESC=C(C)/C=C(\C)CN(C)c1c(Br)ccc2cccnc12
InChIInChI=1S/C17H19BrN2/c1-12(2)10-13(3)11-20(4)17-15(18)8-7-14-6-5-9-19-16(14)17/h5-10H,1,11H2,2-4H3/b13-10+
InChIKeyLRSWNGDBFZNPSR-JLHYYAGUSA-N
MW331.26 g/mol
LogP4.96
Rot. Bonds4

About 7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine

7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine (PubChem CID 142548955) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine.

Molecular Properties

Compound Name7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine
PubChem CID142548955
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine
SMILESC=C(C)/C=C(\C)CN(C)c1c(Br)ccc2cccnc12
InChIInChI=1S/C17H19BrN2/c1-12(2)10-13(3)11-20(4)17-15(18)8-7-14-6-5-9-19-16(14)17/h5-10H,1,11H2,2-4H3/b13-10+
InChIKeyLRSWNGDBFZNPSR-JLHYYAGUSA-N
XLogP4.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-ethenyl-8-prop-1-en-2-ylquinoline
CID 144820069
8-(2-methylprop-2-enyl)quinoline
CID 142452195
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CID 144820073
7-bromo-8-propoxyquinoline
CID 100612692
acetic acid;palladium;bis(1,10-phenanthroline)
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CID 58385596
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1,10-phenanthroline;samarium
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iridium(3+);1,10-phenanthroline
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osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine?
The IUPAC name of 7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine (CID 142548955) is 7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine.
What is the SMILES notation for 7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine?
The canonical SMILES for 7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine is C=C(C)/C=C(\C)CN(C)c1c(Br)ccc2cccnc12.
What is the InChIKey of 7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine?
The InChIKey is LRSWNGDBFZNPSR-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-12(2)10-13(3)11-20(4)17-15(18)8-7-14-6-5-9-19-16(14)17/h5-10H,1,11H2,2-4H3/b13-10+.
What are the key properties of 7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine?
7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine has a molecular weight of 331.26 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(2E)-2,4-dimethylpenta-2,4-dienyl]-N-methylquinolin-8-amine is sourced from PubChem (CID 142548955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).