2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine

C29H40N4O4 — CID 129085368

IUPAC2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine
SMILESCCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCOCC4)cc3n2)o1
InChIInChI=1S/C29H40N4O4/c1-4-22-6-7-27(37-22)26-19-24(30-21-8-11-32(2)12-9-21)23-18-28(34-3)29(20-25(23)31-26)36-15-5-10-33-13-16-35-17-14-33/h6-7,18-21H,4-5,8-17H2,1-3H3,(H,30,31)
InChIKeyAXEYMLVZZMEKPO-UHFFFAOYSA-N
MW508.66 g/mol
LogP4.67
Rot. Bonds10

About 2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine

2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine (PubChem CID 129085368) has the molecular formula C29H40N4O4 and a molecular weight of 508.66 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine
PubChem CID129085368
Molecular FormulaC29H40N4O4
Molecular Weight508.66 g/mol
Exact Mass508.30
IUPAC Name2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine
SMILESCCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCOCC4)cc3n2)o1
InChIInChI=1S/C29H40N4O4/c1-4-22-6-7-27(37-22)26-19-24(30-21-8-11-32(2)12-9-21)23-18-28(34-3)29(20-25(23)31-26)36-15-5-10-33-13-16-35-17-14-33/h6-7,18-21H,4-5,8-17H2,1-3H3,(H,30,31)
InChIKeyAXEYMLVZZMEKPO-UHFFFAOYSA-N
XLogP4.67
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.66
LogP ≤ 54.67
H-Bond Donors ≤ 51
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 2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine?
The IUPAC name of 2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine (CID 129085368) is 2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine is CCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCOCC4)cc3n2)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine?
The InChIKey is AXEYMLVZZMEKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O4/c1-4-22-6-7-27(37-22)26-19-24(30-21-8-11-32(2)12-9-21)23-18-28(34-3)29(20-25(23)31-26)36-15-5-10-33-13-16-35-17-14-33/h6-7,18-21H,4-5,8-17H2,1-3H3,(H,30,31).
What are the key properties of 2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine?
2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine has a molecular weight of 508.66 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 129085368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).