2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine

C14H14BrN3O2 — CID 63353378

IUPAC2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine
SMILESNC(Cc1c([N+](=O)[O-])cnc2ccc(Br)cc12)C1CC1
InChIInChI=1S/C14H14BrN3O2/c15-9-3-4-13-10(5-9)11(6-12(16)8-1-2-8)14(7-17-13)18(19)20/h3-5,7-8,12H,1-2,6,16H2
InChIKeyFXWFONWWOQBDFG-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.19
Rot. Bonds4

About 2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine

2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine (PubChem CID 63353378) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine.

Molecular Properties

Compound Name2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine
PubChem CID63353378
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine
SMILESNC(Cc1c([N+](=O)[O-])cnc2ccc(Br)cc12)C1CC1
InChIInChI=1S/C14H14BrN3O2/c15-9-3-4-13-10(5-9)11(6-12(16)8-1-2-8)14(7-17-13)18(19)20/h3-5,7-8,12H,1-2,6,16H2
InChIKeyFXWFONWWOQBDFG-UHFFFAOYSA-N
XLogP3.19
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-(bromomethyl)-3-nitroquinoline
CID 138454031
6-bromo-4-(2-chloro-3,3-dimethylbutyl)-3-nitroquinoline
CID 63530544
1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine
CID 63200163
2-(6-bromo-3-nitroquinolin-4-yl)acetic acid
CID 104571308
1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine
CID 63200316
1-(6-bromo-3-nitroquinolin-4-yl)azetidin-3-amine
CID 65249523
6-bromo-3-nitro-4-pyrrolidin-3-yloxyquinoline
CID 62347950
1-N-(6-bromo-3-nitroquinolin-4-yl)cyclopropane-1,2-diamine
CID 43621528
1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine
CID 64589887
6-bromo-3-nitro-4-(pyrrolidin-2-ylmethoxy)quinoline
CID 62348341
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine
CID 83164334
3-(6-bromo-3-nitroquinolin-4-yl)butan-2-ol
CID 55161443

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine?
The IUPAC name of 2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine (CID 63353378) is 2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine.
What is the SMILES notation for 2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine?
The canonical SMILES for 2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine is NC(Cc1c([N+](=O)[O-])cnc2ccc(Br)cc12)C1CC1.
What is the InChIKey of 2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine?
The InChIKey is FXWFONWWOQBDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-9-3-4-13-10(5-9)11(6-12(16)8-1-2-8)14(7-17-13)18(19)20/h3-5,7-8,12H,1-2,6,16H2.
What are the key properties of 2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine?
2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine has a molecular weight of 336.19 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine is sourced from PubChem (CID 63353378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).