3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine

C15H18N4O2 — CID 103964055

IUPAC3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
SMILESO=[N+]([O-])c1cnc2ccccc2c1NCCN1CCCC1
InChIInChI=1S/C15H18N4O2/c20-19(21)14-11-17-13-6-2-1-5-12(13)15(14)16-7-10-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2,(H,16,17)
InChIKeyBGZDCOLLKHBWQR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.65
Rot. Bonds5

About 3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine

3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine (PubChem CID 103964055) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
PubChem CID103964055
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
SMILESO=[N+]([O-])c1cnc2ccccc2c1NCCN1CCCC1
InChIInChI=1S/C15H18N4O2/c20-19(21)14-11-17-13-6-2-1-5-12(13)15(14)16-7-10-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2,(H,16,17)
InChIKeyBGZDCOLLKHBWQR-UHFFFAOYSA-N
XLogP2.65
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.65
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

N-[2-(cyclopenten-1-yl)ethyl]-3-nitroquinolin-4-amine
CID 106177604
3-[(3-nitroquinolin-4-yl)amino]propanamide
CID 103963977
2-[(3-nitroquinolin-4-yl)amino]ethyl carbamate
CID 23019820
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine
CID 103963999
5-[(3-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106128996
2-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 60658869
N-[(1-methylpyrazol-3-yl)methyl]-3-nitroquinolin-4-amine
CID 103964134
3-nitro-N-(2-thiophen-3-ylethyl)quinolin-4-amine
CID 103964024
N-(2-bromoprop-2-enyl)-3-nitroquinolin-4-amine
CID 113465098
4-[[(3-nitroquinolin-4-yl)amino]methyl]phenol
CID 171398102
2-methyl-6-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 78918375

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The IUPAC name of 3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine (CID 103964055) is 3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine.
What is the SMILES notation for 3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The canonical SMILES for 3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine is O=[N+]([O-])c1cnc2ccccc2c1NCCN1CCCC1.
What is the InChIKey of 3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The InChIKey is BGZDCOLLKHBWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-19(21)14-11-17-13-6-2-1-5-12(13)15(14)16-7-10-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2,(H,16,17).
What are the key properties of 3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine has a molecular weight of 286.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine is sourced from PubChem (CID 103964055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).