N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine

C21H23N3O4 — CID 6434485

IUPACN,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine
SMILESCCN(CC)CCOc1cc(/C=C\c2ccc([N+](=O)[O-])o2)nc2ccccc12
InChIInChI=1S/C21H23N3O4/c1-3-23(4-2)13-14-27-20-15-16(22-19-8-6-5-7-18(19)20)9-10-17-11-12-21(28-17)24(25)26/h5-12,15H,3-4,13-14H2,1-2H3/b10-9-
InChIKeyHIKWCAOXKACBOV-KTKRTIGZSA-N
MW381.43 g/mol
LogP4.63
Rot. Bonds9

About N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine

N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine (PubChem CID 6434485) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine
PubChem CID6434485
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine
SMILESCCN(CC)CCOc1cc(/C=C\c2ccc([N+](=O)[O-])o2)nc2ccccc12
InChIInChI=1S/C21H23N3O4/c1-3-23(4-2)13-14-27-20-15-16(22-19-8-6-5-7-18(19)20)9-10-17-11-12-21(28-17)24(25)26/h5-12,15H,3-4,13-14H2,1-2H3/b10-9-
InChIKeyHIKWCAOXKACBOV-KTKRTIGZSA-N
XLogP4.63
TPSA81.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine?
The IUPAC name of N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine (CID 6434485) is N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine?
The canonical SMILES for N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine is CCN(CC)CCOc1cc(/C=C\c2ccc([N+](=O)[O-])o2)nc2ccccc12.
What is the InChIKey of N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine?
The InChIKey is HIKWCAOXKACBOV-KTKRTIGZSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-23(4-2)13-14-27-20-15-16(22-19-8-6-5-7-18(19)20)9-10-17-11-12-21(28-17)24(25)26/h5-12,15H,3-4,13-14H2,1-2H3/b10-9-.
What are the key properties of N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine?
N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine has a molecular weight of 381.43 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine is sourced from PubChem (CID 6434485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).