3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine

C15H18BrN3O — CID 106949057

IUPAC3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine
SMILESCCC1CN(c2ccc(N)c3cc(Br)cnc23)CCO1
InChIInChI=1S/C15H18BrN3O/c1-2-11-9-19(5-6-20-11)14-4-3-13(17)12-7-10(16)8-18-15(12)14/h3-4,7-8,11H,2,5-6,9,17H2,1H3
InChIKeySSMAZPSKQNNLTM-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.19
Rot. Bonds2

About 3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine

3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine (PubChem CID 106949057) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine
PubChem CID106949057
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine
SMILESCCC1CN(c2ccc(N)c3cc(Br)cnc23)CCO1
InChIInChI=1S/C15H18BrN3O/c1-2-11-9-19(5-6-20-11)14-4-3-13(17)12-7-10(16)8-18-15(12)14/h3-4,7-8,11H,2,5-6,9,17H2,1H3
InChIKeySSMAZPSKQNNLTM-UHFFFAOYSA-N
XLogP3.19
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine
CID 43562392
3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine
CID 106949030
2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 62377461
3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine
CID 106949013
4-(5-bromo-3-fluoro-2-pyridinyl)-2-ethylmorpholine
CID 104918840
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
4-(5-amino-3-bromoquinolin-8-yl)-1,4-diazepan-2-one
CID 106949452
4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline
CID 116735520
5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 66110707
4-(5-amino-3-bromoquinolin-8-yl)-1-methyl-1,4-diazepan-2-one
CID 106949702
4-(2-ethylmorpholin-4-yl)-1H-pyrazol-5-amine
CID 82234961
5-(2-ethylmorpholin-4-yl)pyrazin-2-amine
CID 80652381

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine?
The IUPAC name of 3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine (CID 106949057) is 3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine?
The canonical SMILES for 3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine is CCC1CN(c2ccc(N)c3cc(Br)cnc23)CCO1.
What is the InChIKey of 3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine?
The InChIKey is SSMAZPSKQNNLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-11-9-19(5-6-20-11)14-4-3-13(17)12-7-10(16)8-18-15(12)14/h3-4,7-8,11H,2,5-6,9,17H2,1H3.
What are the key properties of 3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine?
3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine has a molecular weight of 336.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine is sourced from PubChem (CID 106949057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).