N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine

C15H18N4O2 — CID 103964777

IUPACN-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine
SMILESCCN(c1c([N+](=O)[O-])cnc2ccccc12)C1CCNC1
InChIInChI=1S/C15H18N4O2/c1-2-18(11-7-8-16-9-11)15-12-5-3-4-6-13(12)17-10-14(15)19(20)21/h3-6,10-11,16H,2,7-9H2,1H3
InChIKeyZQBWGOJGODNFMZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.33
Rot. Bonds4

About N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine

N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine (PubChem CID 103964777) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine
PubChem CID103964777
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine
SMILESCCN(c1c([N+](=O)[O-])cnc2ccccc12)C1CCNC1
InChIInChI=1S/C15H18N4O2/c1-2-18(11-7-8-16-9-11)15-12-5-3-4-6-13(12)17-10-14(15)19(20)21/h3-6,10-11,16H,2,7-9H2,1H3
InChIKeyZQBWGOJGODNFMZ-UHFFFAOYSA-N
XLogP2.33
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.33
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-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine
CID 115553862
4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile
CID 63636825
N-ethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 63300015
N-ethyl-5-nitro-N-pyrrolidin-3-ylisoquinolin-8-amine
CID 103142103
4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile
CID 66184340
2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol
CID 103964839
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
N-ethyl-N-(3-fluoro-5-nitrophenyl)pyrrolidin-3-amine
CID 55205151
N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
CID 63638439
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine?
The IUPAC name of N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine (CID 103964777) is N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine.
What is the SMILES notation for N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine?
The canonical SMILES for N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine is CCN(c1c([N+](=O)[O-])cnc2ccccc12)C1CCNC1.
What is the InChIKey of N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine?
The InChIKey is ZQBWGOJGODNFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-18(11-7-8-16-9-11)15-12-5-3-4-6-13(12)17-10-14(15)19(20)21/h3-6,10-11,16H,2,7-9H2,1H3.
What are the key properties of N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine?
N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine has a molecular weight of 286.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine is sourced from PubChem (CID 103964777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).