N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine

C22H23N3 — CID 162665498

IUPACN-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine
SMILESc1ccc(C23CCN(C2)C(CNc2ccnc4ccccc24)C3)cc1
InChIInChI=1S/C22H23N3/c1-2-6-17(7-3-1)22-11-13-25(16-22)18(14-22)15-24-21-10-12-23-20-9-5-4-8-19(20)21/h1-10,12,18H,11,13-16H2,(H,23,24)
InChIKeyIAGBNCAAVJIPLU-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.06
Rot. Bonds4

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

N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine (PubChem CID 162665498) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine
PubChem CID162665498
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC NameN-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine
SMILESc1ccc(C23CCN(C2)C(CNc2ccnc4ccccc24)C3)cc1
InChIInChI=1S/C22H23N3/c1-2-6-17(7-3-1)22-11-13-25(16-22)18(14-22)15-24-21-10-12-23-20-9-5-4-8-19(20)21/h1-10,12,18H,11,13-16H2,(H,23,24)
InChIKeyIAGBNCAAVJIPLU-UHFFFAOYSA-N
XLogP4.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine?
The IUPAC name of N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine (CID 162665498) is N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine.
What is the SMILES notation for N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine?
The canonical SMILES for N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine is c1ccc(C23CCN(C2)C(CNc2ccnc4ccccc24)C3)cc1.
What is the InChIKey of N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine?
The InChIKey is IAGBNCAAVJIPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-2-6-17(7-3-1)22-11-13-25(16-22)18(14-22)15-24-21-10-12-23-20-9-5-4-8-19(20)21/h1-10,12,18H,11,13-16H2,(H,23,24).
What are the key properties of N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine?
N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 162665498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).