2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol

C27H36N4O3 — CID 118607465

IUPAC2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol
SMILESCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(O)c(OCCCN4CCCC4)cc3n2)o1
InChIInChI=1S/C27H36N4O3/c1-19-6-7-26(34-19)24-17-22(28-20-8-13-30(2)14-9-20)21-16-25(32)27(18-23(21)29-24)33-15-5-12-31-10-3-4-11-31/h6-7,16-18,20,32H,3-5,8-15H2,1-2H3,(H,28,29)
InChIKeyZDTIJWKWNYJIAB-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.88
Rot. Bonds8

About 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol

2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol (PubChem CID 118607465) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol
PubChem CID118607465
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Name2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol
SMILESCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(O)c(OCCCN4CCCC4)cc3n2)o1
InChIInChI=1S/C27H36N4O3/c1-19-6-7-26(34-19)24-17-22(28-20-8-13-30(2)14-9-20)21-16-25(32)27(18-23(21)29-24)33-15-5-12-31-10-3-4-11-31/h6-7,16-18,20,32H,3-5,8-15H2,1-2H3,(H,28,29)
InChIKeyZDTIJWKWNYJIAB-UHFFFAOYSA-N
XLogP4.88
TPSA74.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol?
The IUPAC name of 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol (CID 118607465) is 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol?
The canonical SMILES for 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol is Cc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(O)c(OCCCN4CCCC4)cc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol?
The InChIKey is ZDTIJWKWNYJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-19-6-7-26(34-19)24-17-22(28-20-8-13-30(2)14-9-20)21-16-25(32)27(18-23(21)29-24)33-15-5-12-31-10-3-4-11-31/h6-7,16-18,20,32H,3-5,8-15H2,1-2H3,(H,28,29).
What are the key properties of 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol?
2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol has a molecular weight of 464.61 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-6-ol is sourced from PubChem (CID 118607465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).