1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine

C14H15BrN4O2 — CID 115300891

IUPAC1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1
InChIInChI=1S/C14H15BrN4O2/c1-16-10-4-5-18(8-10)14-11-6-9(15)2-3-12(11)17-7-13(14)19(20)21/h2-3,6-7,10,16H,4-5,8H2,1H3
InChIKeyORJDYOZBHYHSRU-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.70
Rot. Bonds3

About 1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine

1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine (PubChem CID 115300891) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine
PubChem CID115300891
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1
InChIInChI=1S/C14H15BrN4O2/c1-16-10-4-5-18(8-10)14-11-6-9(15)2-3-12(11)17-7-13(14)19(20)21/h2-3,6-7,10,16H,4-5,8H2,1H3
InChIKeyORJDYOZBHYHSRU-UHFFFAOYSA-N
XLogP2.70
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(6-bromo-3-nitroquinolin-4-yl)azetidin-3-amine
CID 65249523
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine
CID 113282049
1-[4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidin-1-yl]ethanone
CID 135145607
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpiperidin-3-amine
CID 62545848
3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
CID 114680956
[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-nitroquinolin-6-yl]boronic acid
CID 174068181
[4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidin-1-yl] tert-butyl carbonate
CID 141276989
N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine
CID 115300967
1-N-(6-bromo-3-nitroquinolin-4-yl)cyclopropane-1,2-diamine
CID 43621528
6-bromo-4-(bromomethyl)-3-nitroquinoline
CID 138454031
1-(2,4-dinitrophenyl)-N-methylpyrrolidin-3-amine
CID 115300843
N-methyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 115300885

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine (CID 115300891) is 1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine is CNC1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1.
What is the InChIKey of 1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is ORJDYOZBHYHSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-16-10-4-5-18(8-10)14-11-6-9(15)2-3-12(11)17-7-13(14)19(20)21/h2-3,6-7,10,16H,4-5,8H2,1H3.
What are the key properties of 1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine?
1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 351.20 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115300891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).