3-bromo-N-hept-6-enylquinolin-8-amine

C16H19BrN2 — CID 107007179

IUPAC3-bromo-N-hept-6-enylquinolin-8-amine
SMILESC=CCCCCCNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H19BrN2/c1-2-3-4-5-6-10-18-15-9-7-8-13-11-14(17)12-19-16(13)15/h2,7-9,11-12,18H,1,3-6,10H2
InChIKeyJDQDFVRDMZPLCJ-UHFFFAOYSA-N
MW319.25 g/mol
LogP5.16
Rot. Bonds7

About 3-bromo-N-hept-6-enylquinolin-8-amine

3-bromo-N-hept-6-enylquinolin-8-amine (PubChem CID 107007179) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 3-bromo-N-hept-6-enylquinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-hept-6-enylquinolin-8-amine
PubChem CID107007179
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name3-bromo-N-hept-6-enylquinolin-8-amine
SMILESC=CCCCCCNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H19BrN2/c1-2-3-4-5-6-10-18-15-9-7-8-13-11-14(17)12-19-16(13)15/h2,7-9,11-12,18H,1,3-6,10H2
InChIKeyJDQDFVRDMZPLCJ-UHFFFAOYSA-N
XLogP5.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.25
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-bromoquinolin-8-yl)amino]pentanoic acid
CID 116784480
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
(E)-4-[(3-bromoquinolin-8-yl)amino]but-2-enoic acid
CID 103267533
3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
CID 116784312
(Z)-4-[(3-bromoquinolin-8-yl)amino]-2-ethylbut-2-enoic acid
CID 103267539
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
3-bromo-N-phenylquinolin-8-amine
CID 86754991
2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 116784232
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-hept-6-enylquinolin-8-amine?
The IUPAC name of 3-bromo-N-hept-6-enylquinolin-8-amine (CID 107007179) is 3-bromo-N-hept-6-enylquinolin-8-amine.
What is the SMILES notation for 3-bromo-N-hept-6-enylquinolin-8-amine?
The canonical SMILES for 3-bromo-N-hept-6-enylquinolin-8-amine is C=CCCCCCNc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-hept-6-enylquinolin-8-amine?
The InChIKey is JDQDFVRDMZPLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-2-3-4-5-6-10-18-15-9-7-8-13-11-14(17)12-19-16(13)15/h2,7-9,11-12,18H,1,3-6,10H2.
What are the key properties of 3-bromo-N-hept-6-enylquinolin-8-amine?
3-bromo-N-hept-6-enylquinolin-8-amine has a molecular weight of 319.25 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-hept-6-enylquinolin-8-amine is sourced from PubChem (CID 107007179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).