7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine

C32H32N4O3 — CID 44532452

IUPAC7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ccnc4cc(-c5ccc(CNCCN6CCOCC6)o5)ccc34)cc2)cc1
InChIInChI=1S/C32H32N4O3/c1-2-4-26(5-3-1)38-27-9-7-25(8-10-27)35-30-14-15-34-31-22-24(6-12-29(30)31)32-13-11-28(39-32)23-33-16-17-36-18-20-37-21-19-36/h1-15,22,33H,16-21,23H2,(H,34,35)
InChIKeyLBTUEHMXNFJWHL-UHFFFAOYSA-N
MW520.63 g/mol
LogP6.45
Rot. Bonds10

About 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine

7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine (PubChem CID 44532452) has the molecular formula C32H32N4O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine
PubChem CID44532452
Molecular FormulaC32H32N4O3
Molecular Weight520.63 g/mol
Exact Mass520.25
IUPAC Name7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ccnc4cc(-c5ccc(CNCCN6CCOCC6)o5)ccc34)cc2)cc1
InChIInChI=1S/C32H32N4O3/c1-2-4-26(5-3-1)38-27-9-7-25(8-10-27)35-30-14-15-34-31-22-24(6-12-29(30)31)32-13-11-28(39-32)23-33-16-17-36-18-20-37-21-19-36/h1-15,22,33H,16-21,23H2,(H,34,35)
InChIKeyLBTUEHMXNFJWHL-UHFFFAOYSA-N
XLogP6.45
TPSA71.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 56.45
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-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The IUPAC name of 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine (CID 44532452) is 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine is c1ccc(Oc2ccc(Nc3ccnc4cc(-c5ccc(CNCCN6CCOCC6)o5)ccc34)cc2)cc1.
What is the InChIKey of 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The InChIKey is LBTUEHMXNFJWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O3/c1-2-4-26(5-3-1)38-27-9-7-25(8-10-27)35-30-14-15-34-31-22-24(6-12-29(30)31)32-13-11-28(39-32)23-33-16-17-36-18-20-37-21-19-36/h1-15,22,33H,16-21,23H2,(H,34,35).
What are the key properties of 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine?
7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine has a molecular weight of 520.63 g/mol, XLogP of 6.45, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44532452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).