7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine

C33H33N5O2 — CID 44532547

IUPAC7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
SMILESc1cncc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CNCCN6CCOCC6)c5)ccc34)cc2)c1
InChIInChI=1S/C33H33N5O2/c1-3-25(23-35-15-16-38-17-19-39-20-18-38)21-26(4-1)27-6-11-31-32(12-14-36-33(31)22-27)37-28-7-9-29(10-8-28)40-30-5-2-13-34-24-30/h1-14,21-22,24,35H,15-20,23H2,(H,36,37)
InChIKeyATZFFRWWKOWAGH-UHFFFAOYSA-N
MW531.66 g/mol
LogP6.25
Rot. Bonds10

About 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine

7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine (PubChem CID 44532547) has the molecular formula C33H33N5O2 and a molecular weight of 531.66 g/mol. Its IUPAC name is 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
PubChem CID44532547
Molecular FormulaC33H33N5O2
Molecular Weight531.66 g/mol
Exact Mass531.26
IUPAC Name7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
SMILESc1cncc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CNCCN6CCOCC6)c5)ccc34)cc2)c1
InChIInChI=1S/C33H33N5O2/c1-3-25(23-35-15-16-38-17-19-39-20-18-38)21-26(4-1)27-6-11-31-32(12-14-36-33(31)22-27)37-28-7-9-29(10-8-28)40-30-5-2-13-34-24-30/h1-14,21-22,24,35H,15-20,23H2,(H,36,37)
InChIKeyATZFFRWWKOWAGH-UHFFFAOYSA-N
XLogP6.25
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine?
The IUPAC name of 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine (CID 44532547) is 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine is c1cncc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CNCCN6CCOCC6)c5)ccc34)cc2)c1.
What is the InChIKey of 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine?
The InChIKey is ATZFFRWWKOWAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O2/c1-3-25(23-35-15-16-38-17-19-39-20-18-38)21-26(4-1)27-6-11-31-32(12-14-36-33(31)22-27)37-28-7-9-29(10-8-28)40-30-5-2-13-34-24-30/h1-14,21-22,24,35H,15-20,23H2,(H,36,37).
What are the key properties of 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine?
7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine has a molecular weight of 531.66 g/mol, XLogP of 6.25, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44532547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).