N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride

C20H26Cl2N4O2 — CID 66912809

IUPACN'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1
InChIInChI=1S/C20H24N4O2.2ClH/c21-20(19-3-1-12-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-13-25-14-11-23;;/h1,3-6,9,12,15H,2,7-8,10-11,13-14H2,(H2,21,22);2*1H
InChIKeyAHIMCVBKRWKKMI-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.84
Rot. Bonds6

About N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride

N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride (PubChem CID 66912809) has the molecular formula C20H26Cl2N4O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride
PubChem CID66912809
Molecular FormulaC20H26Cl2N4O2
Molecular Weight425.36 g/mol
Exact Mass424.14
IUPAC NameN'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1
InChIInChI=1S/C20H24N4O2.2ClH/c21-20(19-3-1-12-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-13-25-14-11-23;;/h1,3-6,9,12,15H,2,7-8,10-11,13-14H2,(H2,21,22);2*1H
InChIKeyAHIMCVBKRWKKMI-UHFFFAOYSA-N
XLogP3.84
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride (CID 66912809) is N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride is Cl.Cl.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1.
What is the InChIKey of N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride?
The InChIKey is AHIMCVBKRWKKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.2ClH/c21-20(19-3-1-12-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-13-25-14-11-23;;/h1,3-6,9,12,15H,2,7-8,10-11,13-14H2,(H2,21,22);2*1H.
What are the key properties of N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride?
N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride has a molecular weight of 425.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 66912809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).