7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine

C32H29N3O2 — CID 44532530

IUPAC7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CN6CCOCC6)c5)ccc34)cc2)cc1
InChIInChI=1S/C32H29N3O2/c1-2-7-28(8-3-1)37-29-12-10-27(11-13-29)34-31-15-16-33-32-22-26(9-14-30(31)32)25-6-4-5-24(21-25)23-35-17-19-36-20-18-35/h1-16,21-22H,17-20,23H2,(H,33,34)
InChIKeyHRUUWOOHOZZNRG-UHFFFAOYSA-N
MW487.60 g/mol
LogP7.27
Rot. Bonds7

About 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine

7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine (PubChem CID 44532530) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine
PubChem CID44532530
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CN6CCOCC6)c5)ccc34)cc2)cc1
InChIInChI=1S/C32H29N3O2/c1-2-7-28(8-3-1)37-29-12-10-27(11-13-29)34-31-15-16-33-32-22-26(9-14-30(31)32)25-6-4-5-24(21-25)23-35-17-19-36-20-18-35/h1-16,21-22H,17-20,23H2,(H,33,34)
InChIKeyHRUUWOOHOZZNRG-UHFFFAOYSA-N
XLogP7.27
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The IUPAC name of 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine (CID 44532530) is 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine is c1ccc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CN6CCOCC6)c5)ccc34)cc2)cc1.
What is the InChIKey of 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The InChIKey is HRUUWOOHOZZNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-2-7-28(8-3-1)37-29-12-10-27(11-13-29)34-31-15-16-33-32-22-26(9-14-30(31)32)25-6-4-5-24(21-25)23-35-17-19-36-20-18-35/h1-16,21-22H,17-20,23H2,(H,33,34).
What are the key properties of 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine?
7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine has a molecular weight of 487.60 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44532530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).