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

C31H31N5O3 — CID 44532478

IUPAC7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ccnc4cc(-c5ccc(CNCCN6CCOCC6)o5)ccc34)cc2)nc1
InChIInChI=1S/C31H31N5O3/c1-2-13-34-31(3-1)39-25-7-5-24(6-8-25)35-28-12-14-33-29-21-23(4-10-27(28)29)30-11-9-26(38-30)22-32-15-16-36-17-19-37-20-18-36/h1-14,21,32H,15-20,22H2,(H,33,35)
InChIKeyVBSIYFLNTMIVQC-UHFFFAOYSA-N
MW521.62 g/mol
LogP5.85
Rot. Bonds10

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

7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine (PubChem CID 44532478) has the molecular formula C31H31N5O3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine
PubChem CID44532478
Molecular FormulaC31H31N5O3
Molecular Weight521.62 g/mol
Exact Mass521.24
IUPAC Name7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ccnc4cc(-c5ccc(CNCCN6CCOCC6)o5)ccc34)cc2)nc1
InChIInChI=1S/C31H31N5O3/c1-2-13-34-31(3-1)39-25-7-5-24(6-8-25)35-28-12-14-33-29-21-23(4-10-27(28)29)30-11-9-26(38-30)22-32-15-16-36-17-19-37-20-18-36/h1-14,21,32H,15-20,22H2,(H,33,35)
InChIKeyVBSIYFLNTMIVQC-UHFFFAOYSA-N
XLogP5.85
TPSA84.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-pyridin-2-yloxyphenyl)quinolin-4-amine?
The IUPAC name of 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine (CID 44532478) is 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine is c1ccc(Oc2ccc(Nc3ccnc4cc(-c5ccc(CNCCN6CCOCC6)o5)ccc34)cc2)nc1.
What is the InChIKey of 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine?
The InChIKey is VBSIYFLNTMIVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O3/c1-2-13-34-31(3-1)39-25-7-5-24(6-8-25)35-28-12-14-33-29-21-23(4-10-27(28)29)30-11-9-26(38-30)22-32-15-16-36-17-19-37-20-18-36/h1-14,21,32H,15-20,22H2,(H,33,35).
What are the key properties of 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine?
7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine has a molecular weight of 521.62 g/mol, XLogP of 5.85, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]-N-(4-pyridin-2-yloxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44532478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).