N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine

C15H13N3O3 — CID 103963999

IUPACN-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine
SMILESO=[N+]([O-])c1cnc2ccccc2c1NCCc1ccco1
InChIInChI=1S/C15H13N3O3/c19-18(20)14-10-17-13-6-2-1-5-12(13)15(14)16-8-7-11-4-3-9-21-11/h1-6,9-10H,7-8H2,(H,16,17)
InChIKeyFLNOPLNDMXVIBP-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine

N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine (PubChem CID 103963999) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine
PubChem CID103963999
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine
SMILESO=[N+]([O-])c1cnc2ccccc2c1NCCc1ccco1
InChIInChI=1S/C15H13N3O3/c19-18(20)14-10-17-13-6-2-1-5-12(13)15(14)16-8-7-11-4-3-9-21-11/h1-6,9-10H,7-8H2,(H,16,17)
InChIKeyFLNOPLNDMXVIBP-UHFFFAOYSA-N
XLogP3.39
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine (CID 103963999) is N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine is O=[N+]([O-])c1cnc2ccccc2c1NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine?
The InChIKey is FLNOPLNDMXVIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-18(20)14-10-17-13-6-2-1-5-12(13)15(14)16-8-7-11-4-3-9-21-11/h1-6,9-10H,7-8H2,(H,16,17).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine?
N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine has a molecular weight of 283.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine is sourced from PubChem (CID 103963999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).