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

C14H16N4O2 — CID 103964018

IUPACN-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine
SMILESCN1CCC(Nc2c([N+](=O)[O-])cnc3ccccc23)C1
InChIInChI=1S/C14H16N4O2/c1-17-7-6-10(9-17)16-14-11-4-2-3-5-12(11)15-8-13(14)18(19)20/h2-5,8,10H,6-7,9H2,1H3,(H,15,16)
InChIKeyNJCPTUQKLQXWAU-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.26
Rot. Bonds3

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

N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine (PubChem CID 103964018) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine
PubChem CID103964018
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine
SMILESCN1CCC(Nc2c([N+](=O)[O-])cnc3ccccc23)C1
InChIInChI=1S/C14H16N4O2/c1-17-7-6-10(9-17)16-14-11-4-2-3-5-12(11)15-8-13(14)18(19)20/h2-5,8,10H,6-7,9H2,1H3,(H,15,16)
InChIKeyNJCPTUQKLQXWAU-UHFFFAOYSA-N
XLogP2.26
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.26
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-N-(3-nitroquinolin-4-yl)cyclobutane-1,3-diamine
CID 103964750
4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
CID 113359410
N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine
CID 103964104
N-[(1R)-1-cyclohexylethyl]-3-nitroquinolin-4-amine
CID 162716248
tert-butyl N-[(1R,3S)-3-[(3-nitroquinolin-4-yl)amino]cyclopentyl]carbamate
CID 154079962
3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
CID 103964055
1-[4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidin-1-yl]ethanone
CID 135145607
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225
N-(1-methylpyrrolidin-3-yl)quinolin-5-amine
CID 62975948
3-nitro-N-[1-(trifluoromethyl)cyclopropyl]quinolin-4-amine
CID 106214705
3-[(3-nitroquinolin-4-yl)amino]butan-1-ol
CID 103964141
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine (CID 103964018) is N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine is CN1CCC(Nc2c([N+](=O)[O-])cnc3ccccc23)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine?
The InChIKey is NJCPTUQKLQXWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-17-7-6-10(9-17)16-14-11-4-2-3-5-12(11)15-8-13(14)18(19)20/h2-5,8,10H,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine?
N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine is sourced from PubChem (CID 103964018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).