N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C22H26N4O — CID 159097399

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1cccc(CN(CCc2ncco2)C2CCCc3cccnc32)c1
InChIInChI=1S/C22H26N4O/c23-15-17-4-1-5-18(14-17)16-26(12-9-21-24-11-13-27-21)20-8-2-6-19-7-3-10-25-22(19)20/h1,3-5,7,10-11,13-14,20H,2,6,8-9,12,15-16,23H2
InChIKeyCEGXVENGJYEFKU-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.65
Rot. Bonds7

About N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 159097399) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID159097399
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1cccc(CN(CCc2ncco2)C2CCCc3cccnc32)c1
InChIInChI=1S/C22H26N4O/c23-15-17-4-1-5-18(14-17)16-26(12-9-21-24-11-13-27-21)20-8-2-6-19-7-3-10-25-22(19)20/h1,3-5,7,10-11,13-14,20H,2,6,8-9,12,15-16,23H2
InChIKeyCEGXVENGJYEFKU-UHFFFAOYSA-N
XLogP3.65
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-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-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 159097399) is N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is NCc1cccc(CN(CCc2ncco2)C2CCCc3cccnc32)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is CEGXVENGJYEFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c23-15-17-4-1-5-18(14-17)16-26(12-9-21-24-11-13-27-21)20-8-2-6-19-7-3-10-25-22(19)20/h1,3-5,7,10-11,13-14,20H,2,6,8-9,12,15-16,23H2.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 362.48 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 159097399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).