3-bromo-N-pentan-3-ylquinolin-8-amine

C14H17BrN2 — CID 116783436

IUPAC3-bromo-N-pentan-3-ylquinolin-8-amine
SMILESCCC(CC)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN2/c1-3-12(4-2)17-13-7-5-6-10-8-11(15)9-16-14(10)13/h5-9,12,17H,3-4H2,1-2H3
InChIKeyJQQAQEXJLCJXEP-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.60
Rot. Bonds4

About 3-bromo-N-pentan-3-ylquinolin-8-amine

3-bromo-N-pentan-3-ylquinolin-8-amine (PubChem CID 116783436) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3-bromo-N-pentan-3-ylquinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-pentan-3-ylquinolin-8-amine
PubChem CID116783436
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name3-bromo-N-pentan-3-ylquinolin-8-amine
SMILESCCC(CC)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN2/c1-3-12(4-2)17-13-7-5-6-10-8-11(15)9-16-14(10)13/h5-9,12,17H,3-4H2,1-2H3
InChIKeyJQQAQEXJLCJXEP-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
3-bromo-N-(1-phenylethyl)quinolin-8-amine
CID 116783523
3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine
CID 116783273
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
CID 116783437
3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 116783435
N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide
CID 116784566
2-[(3-bromoquinolin-8-yl)sulfamoyl]butanethioamide
CID 116784591
4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine
CID 116785861
3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine
CID 116783492

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-pentan-3-ylquinolin-8-amine?
The IUPAC name of 3-bromo-N-pentan-3-ylquinolin-8-amine (CID 116783436) is 3-bromo-N-pentan-3-ylquinolin-8-amine.
What is the SMILES notation for 3-bromo-N-pentan-3-ylquinolin-8-amine?
The canonical SMILES for 3-bromo-N-pentan-3-ylquinolin-8-amine is CCC(CC)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-pentan-3-ylquinolin-8-amine?
The InChIKey is JQQAQEXJLCJXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-3-12(4-2)17-13-7-5-6-10-8-11(15)9-16-14(10)13/h5-9,12,17H,3-4H2,1-2H3.
What are the key properties of 3-bromo-N-pentan-3-ylquinolin-8-amine?
3-bromo-N-pentan-3-ylquinolin-8-amine has a molecular weight of 293.21 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-pentan-3-ylquinolin-8-amine is sourced from PubChem (CID 116783436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).