2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

C27H36N4O2 — CID 118613614

IUPAC2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCc1ccc(-c2cc(NC3CCN(C)CC3)c3ccc(OCCCN4CCCC4)cc3n2)o1
InChIInChI=1S/C27H36N4O2/c1-20-6-9-27(33-20)26-19-25(28-21-10-15-30(2)16-11-21)23-8-7-22(18-24(23)29-26)32-17-5-14-31-12-3-4-13-31/h6-9,18-19,21H,3-5,10-17H2,1-2H3,(H,28,29)
InChIKeyUWTQREDSTMKGMT-UHFFFAOYSA-N
MW448.61 g/mol
LogP5.17
Rot. Bonds8

About 2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (PubChem CID 118613614) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
PubChem CID118613614
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCc1ccc(-c2cc(NC3CCN(C)CC3)c3ccc(OCCCN4CCCC4)cc3n2)o1
InChIInChI=1S/C27H36N4O2/c1-20-6-9-27(33-20)26-19-25(28-21-10-15-30(2)16-11-21)23-8-7-22(18-24(23)29-26)32-17-5-14-31-12-3-4-13-31/h6-9,18-19,21H,3-5,10-17H2,1-2H3,(H,28,29)
InChIKeyUWTQREDSTMKGMT-UHFFFAOYSA-N
XLogP5.17
TPSA53.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-Benzofuran-2-Ylmethyl)-N'-(1,2,3,4-Tetrahydroacridin-9-Yl)heptane-1,7-Diamine
CID 91864546
6-Methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-4-amine
CID 118607432
N-(2-furylmethyl)-N'-[7-(2-methoxyphenoxy)-4-quinolyl]propane-1,3-diamine
CID 56595010
N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 3372555
7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide
CID 4187861
7-methoxy-N-(2-methoxyethyl)furo[2,3-b]quinoline-2-carboxamide
CID 16001242
1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-
CID 453072
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 2259442
N-cyclohexyl-7-methoxy-N-methylfuro[2,3-b]quinoline-2-carboxamide
CID 4059946
(6-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
CID 11624908
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
CID 11709518
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-diethylethane-1,2-diamine
CID 44420781

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (CID 118613614) is 2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is Cc1ccc(-c2cc(NC3CCN(C)CC3)c3ccc(OCCCN4CCCC4)cc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The InChIKey is UWTQREDSTMKGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-20-6-9-27(33-20)26-19-25(28-21-10-15-30(2)16-11-21)23-8-7-22(18-24(23)29-26)32-17-5-14-31-12-3-4-13-31/h6-9,18-19,21H,3-5,10-17H2,1-2H3,(H,28,29).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine has a molecular weight of 448.61 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 118613614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).