N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine

C30H27N3O — CID 100970631

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine
SMILESc1ccc2cc(-c3cc(Nc4ccc(CN5CCOCC5)cc4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C30H27N3O/c1-2-6-24-19-25(12-11-23(24)5-1)29-20-30(27-7-3-4-8-28(27)32-29)31-26-13-9-22(10-14-26)21-33-15-17-34-18-16-33/h1-14,19-20H,15-18,21H2,(H,31,32)
InChIKeyRAEBNWAQMGLAPA-UHFFFAOYSA-N
MW445.57 g/mol
LogP6.63
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine

N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine (PubChem CID 100970631) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine
PubChem CID100970631
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine
SMILESc1ccc2cc(-c3cc(Nc4ccc(CN5CCOCC5)cc4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C30H27N3O/c1-2-6-24-19-25(12-11-23(24)5-1)29-20-30(27-7-3-4-8-28(27)32-29)31-26-13-9-22(10-14-26)21-33-15-17-34-18-16-33/h1-14,19-20H,15-18,21H2,(H,31,32)
InChIKeyRAEBNWAQMGLAPA-UHFFFAOYSA-N
XLogP6.63
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-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-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine (CID 100970631) is N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine is c1ccc2cc(-c3cc(Nc4ccc(CN5CCOCC5)cc4)c4ccccc4n3)ccc2c1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine?
The InChIKey is RAEBNWAQMGLAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O/c1-2-6-24-19-25(12-11-23(24)5-1)29-20-30(27-7-3-4-8-28(27)32-29)31-26-13-9-22(10-14-26)21-33-15-17-34-18-16-33/h1-14,19-20H,15-18,21H2,(H,31,32).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine?
N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine has a molecular weight of 445.57 g/mol, XLogP of 6.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine is sourced from PubChem (CID 100970631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).