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

C31H28N4O2 — CID 44532545

IUPAC7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
SMILESc1cncc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CN6CCOCC6)c5)ccc34)cc2)c1
InChIInChI=1S/C31H28N4O2/c1-3-23(22-35-15-17-36-18-16-35)19-24(4-1)25-6-11-29-30(12-14-33-31(29)20-25)34-26-7-9-27(10-8-26)37-28-5-2-13-32-21-28/h1-14,19-21H,15-18,22H2,(H,33,34)
InChIKeyUIWCQZZAONISLI-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.66
Rot. Bonds7

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

7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine (PubChem CID 44532545) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
PubChem CID44532545
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC Name7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
SMILESc1cncc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CN6CCOCC6)c5)ccc34)cc2)c1
InChIInChI=1S/C31H28N4O2/c1-3-23(22-35-15-17-36-18-16-35)19-24(4-1)25-6-11-29-30(12-14-33-31(29)20-25)34-26-7-9-27(10-8-26)37-28-5-2-13-32-21-28/h1-14,19-21H,15-18,22H2,(H,33,34)
InChIKeyUIWCQZZAONISLI-UHFFFAOYSA-N
XLogP6.66
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine?
The IUPAC name of 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine (CID 44532545) is 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine is c1cncc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CN6CCOCC6)c5)ccc34)cc2)c1.
What is the InChIKey of 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine?
The InChIKey is UIWCQZZAONISLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O2/c1-3-23(22-35-15-17-36-18-16-35)19-24(4-1)25-6-11-29-30(12-14-33-31(29)20-25)34-26-7-9-27(10-8-26)37-28-5-2-13-32-21-28/h1-14,19-21H,15-18,22H2,(H,33,34).
What are the key properties of 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine?
7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine has a molecular weight of 488.59 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44532545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).