N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

C32H30N2O — CID 25191265

IUPACN-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCN(c1cccc2ccccc12)C1CCCc2nc(-c3cccc4ccccc34)cc(OC)c21
InChIInChI=1S/C32H30N2O/c1-3-34(29-19-9-14-23-12-5-7-16-25(23)29)30-20-10-18-27-32(30)31(35-2)21-28(33-27)26-17-8-13-22-11-4-6-15-24(22)26/h4-9,11-17,19,21,30H,3,10,18,20H2,1-2H3
InChIKeyOZUHXJWRMSTYIM-UHFFFAOYSA-N
MW458.61 g/mol
LogP7.97
Rot. Bonds5

About N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25191265) has the molecular formula C32H30N2O and a molecular weight of 458.61 g/mol. Its IUPAC name is N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25191265
Molecular FormulaC32H30N2O
Molecular Weight458.61 g/mol
Exact Mass458.24
IUPAC NameN-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCN(c1cccc2ccccc12)C1CCCc2nc(-c3cccc4ccccc34)cc(OC)c21
InChIInChI=1S/C32H30N2O/c1-3-34(29-19-9-14-23-12-5-7-16-25(23)29)30-20-10-18-27-32(30)31(35-2)21-28(33-27)26-17-8-13-22-11-4-6-15-24(22)26/h4-9,11-17,19,21,30H,3,10,18,20H2,1-2H3
InChIKeyOZUHXJWRMSTYIM-UHFFFAOYSA-N
XLogP7.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25191265) is N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is CCN(c1cccc2ccccc12)C1CCCc2nc(-c3cccc4ccccc34)cc(OC)c21.
What is the InChIKey of N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is OZUHXJWRMSTYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O/c1-3-34(29-19-9-14-23-12-5-7-16-25(23)29)30-20-10-18-27-32(30)31(35-2)21-28(33-27)26-17-8-13-22-11-4-6-15-24(22)26/h4-9,11-17,19,21,30H,3,10,18,20H2,1-2H3.
What are the key properties of N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 458.61 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-N,2-dinaphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25191265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).