N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine

C22H22N4O2 — CID 53362683

IUPACN-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine
SMILESC/C(=N\OCCCN)c1ccc(Nc2c3ccccc3nc3occc23)cc1
InChIInChI=1S/C22H22N4O2/c1-15(26-28-13-4-12-23)16-7-9-17(10-8-16)24-21-18-5-2-3-6-20(18)25-22-19(21)11-14-27-22/h2-3,5-11,14H,4,12-13,23H2,1H3,(H,24,25)/b26-15+
InChIKeyNHTYTQQUOJEWOV-CVKSISIWSA-N
MW374.44 g/mol
LogP4.81
Rot. Bonds7

About N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine

N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine (PubChem CID 53362683) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine.

Molecular Properties

Compound NameN-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine
PubChem CID53362683
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine
SMILESC/C(=N\OCCCN)c1ccc(Nc2c3ccccc3nc3occc23)cc1
InChIInChI=1S/C22H22N4O2/c1-15(26-28-13-4-12-23)16-7-9-17(10-8-16)24-21-18-5-2-3-6-20(18)25-22-19(21)11-14-27-22/h2-3,5-11,14H,4,12-13,23H2,1H3,(H,24,25)/b26-15+
InChIKeyNHTYTQQUOJEWOV-CVKSISIWSA-N
XLogP4.81
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine 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-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine?
The IUPAC name of N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine (CID 53362683) is N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine.
What is the SMILES notation for N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine?
The canonical SMILES for N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine is C/C(=N\OCCCN)c1ccc(Nc2c3ccccc3nc3occc23)cc1.
What is the InChIKey of N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine?
The InChIKey is NHTYTQQUOJEWOV-CVKSISIWSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15(26-28-13-4-12-23)16-7-9-17(10-8-16)24-21-18-5-2-3-6-20(18)25-22-19(21)11-14-27-22/h2-3,5-11,14H,4,12-13,23H2,1H3,(H,24,25)/b26-15+.
What are the key properties of N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine?
N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine has a molecular weight of 374.44 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine is sourced from PubChem (CID 53362683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).