N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine

C21H24N4O — CID 161364876

IUPACN-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine
SMILESc1ccc(-c2nnc3ccccc3c2NCCCN2CCOCC2)cc1
InChIInChI=1S/C21H24N4O/c1-2-7-17(8-3-1)20-21(18-9-4-5-10-19(18)23-24-20)22-11-6-12-25-13-15-26-16-14-25/h1-5,7-10H,6,11-16H2,(H,22,23)
InChIKeyVPRIVMOCEOMBKR-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.43
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine

N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine (PubChem CID 161364876) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine
PubChem CID161364876
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine
SMILESc1ccc(-c2nnc3ccccc3c2NCCCN2CCOCC2)cc1
InChIInChI=1S/C21H24N4O/c1-2-7-17(8-3-1)20-21(18-9-4-5-10-19(18)23-24-20)22-11-6-12-25-13-15-26-16-14-25/h1-5,7-10H,6,11-16H2,(H,22,23)
InChIKeyVPRIVMOCEOMBKR-UHFFFAOYSA-N
XLogP3.43
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine (CID 161364876) is N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine is c1ccc(-c2nnc3ccccc3c2NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine?
The InChIKey is VPRIVMOCEOMBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-7-17(8-3-1)20-21(18-9-4-5-10-19(18)23-24-20)22-11-6-12-25-13-15-26-16-14-25/h1-5,7-10H,6,11-16H2,(H,22,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine?
N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-phenylcinnolin-4-amine is sourced from PubChem (CID 161364876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).