3-bromo-N-(3-ethoxypropyl)quinolin-8-amine

C14H17BrN2O — CID 116784215

IUPAC3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
SMILESCCOCCCNc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN2O/c1-2-18-8-4-7-16-13-6-3-5-11-9-12(15)10-17-14(11)13/h3,5-6,9-10,16H,2,4,7-8H2,1H3
InChIKeyLCVAFBNPUKNXIH-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.84
Rot. Bonds6

About 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine

3-bromo-N-(3-ethoxypropyl)quinolin-8-amine (PubChem CID 116784215) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
PubChem CID116784215
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
SMILESCCOCCCNc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN2O/c1-2-18-8-4-7-16-13-6-3-5-11-9-12(15)10-17-14(11)13/h3,5-6,9-10,16H,2,4,7-8H2,1H3
InChIKeyLCVAFBNPUKNXIH-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-hept-6-enylquinolin-8-amine
CID 107007179
5-[(3-bromoquinolin-8-yl)amino]pentanoic acid
CID 116784480
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
(Z)-4-[(3-bromoquinolin-8-yl)amino]-2-ethylbut-2-enoic acid
CID 103267539
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
CID 116783708
3-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]quinolin-8-amine
CID 116784094
3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
CID 116784312
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
3-bromo-N-(propylsulfamoyl)quinolin-8-amine
CID 114808997
3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
CID 116783174

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine?
The IUPAC name of 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine (CID 116784215) is 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine?
The canonical SMILES for 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine is CCOCCCNc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine?
The InChIKey is LCVAFBNPUKNXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-2-18-8-4-7-16-13-6-3-5-11-9-12(15)10-17-14(11)13/h3,5-6,9-10,16H,2,4,7-8H2,1H3.
What are the key properties of 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine?
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine has a molecular weight of 309.21 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethoxypropyl)quinolin-8-amine is sourced from PubChem (CID 116784215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).