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'}

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Related Compounds

2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-6-(2,2,2-trifluoroethoxy)quinolin-4-amine
CID 118607327
N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide
CID 142495365
2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 166633012
6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine
CID 129072666
6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine
CID 118613725
4-[4-[[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide
CID 153375939
N-hydroxy-4-[4-[[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide
CID 142495336
1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone
CID 118613689
N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine
CID 158560820
6-methoxy-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile
CID 177378118
2-(2,5-dimethylfuran-3-yl)-6-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 129270508
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650

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).