1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine

C23H25N3 — CID 162669300

IUPAC1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine
SMILESc1ccc(C23CCN(C2)C(CNCc2ccnc4ccccc24)C3)cc1
InChIInChI=1S/C23H25N3/c1-2-6-19(7-3-1)23-11-13-26(17-23)20(14-23)16-24-15-18-10-12-25-22-9-5-4-8-21(18)22/h1-10,12,20,24H,11,13-17H2
InChIKeyDATAZFRCHRCEJK-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.74
Rot. Bonds5

About 1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine

1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine (PubChem CID 162669300) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine
PubChem CID162669300
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine
SMILESc1ccc(C23CCN(C2)C(CNCc2ccnc4ccccc24)C3)cc1
InChIInChI=1S/C23H25N3/c1-2-6-19(7-3-1)23-11-13-26(17-23)20(14-23)16-24-15-18-10-12-25-22-9-5-4-8-21(18)22/h1-10,12,20,24H,11,13-17H2
InChIKeyDATAZFRCHRCEJK-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine (CID 162669300) is 1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine is c1ccc(C23CCN(C2)C(CNCc2ccnc4ccccc24)C3)cc1.
What is the InChIKey of 1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine?
The InChIKey is DATAZFRCHRCEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-2-6-19(7-3-1)23-11-13-26(17-23)20(14-23)16-24-15-18-10-12-25-22-9-5-4-8-21(18)22/h1-10,12,20,24H,11,13-17H2.
What are the key properties of 1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine?
1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine has a molecular weight of 343.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)-N-(quinolin-4-ylmethyl)methanamine is sourced from PubChem (CID 162669300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).