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

C34H34N4O2 — CID 44532529

IUPAC7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CNCCN6CCOCC6)c5)ccc34)cc2)cc1
InChIInChI=1S/C34H34N4O2/c1-2-7-30(8-3-1)40-31-12-10-29(11-13-31)37-33-15-16-36-34-24-28(9-14-32(33)34)27-6-4-5-26(23-27)25-35-17-18-38-19-21-39-22-20-38/h1-16,23-24,35H,17-22,25H2,(H,36,37)
InChIKeyCLMVRHXRRGUUOG-UHFFFAOYSA-N
MW530.67 g/mol
LogP6.86
Rot. Bonds10

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

7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine (PubChem CID 44532529) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine
PubChem CID44532529
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CNCCN6CCOCC6)c5)ccc34)cc2)cc1
InChIInChI=1S/C34H34N4O2/c1-2-7-30(8-3-1)40-31-12-10-29(11-13-31)37-33-15-16-36-34-24-28(9-14-32(33)34)27-6-4-5-26(23-27)25-35-17-18-38-19-21-39-22-20-38/h1-16,23-24,35H,17-22,25H2,(H,36,37)
InChIKeyCLMVRHXRRGUUOG-UHFFFAOYSA-N
XLogP6.86
TPSA58.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenoxyphenyl)quinolin-4-amine?
The IUPAC name of 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine (CID 44532529) is 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine is c1ccc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CNCCN6CCOCC6)c5)ccc34)cc2)cc1.
What is the InChIKey of 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The InChIKey is CLMVRHXRRGUUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-2-7-30(8-3-1)40-31-12-10-29(11-13-31)37-33-15-16-36-34-24-28(9-14-32(33)34)27-6-4-5-26(23-27)25-35-17-18-38-19-21-39-22-20-38/h1-16,23-24,35H,17-22,25H2,(H,36,37).
What are the key properties of 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine?
7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine has a molecular weight of 530.67 g/mol, XLogP of 6.86, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44532529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).