6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine

C27H36N4O3 — CID 118607373

IUPAC6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCC1CCNCC1
InChIInChI=1S/C27H36N4O3/c1-18-4-5-25(34-18)24-15-22(29-20-8-12-31(2)13-9-20)21-14-26(32-3)27(16-23(21)30-24)33-17-19-6-10-28-11-7-19/h4-5,14-16,19-20,28H,6-13,17H2,1-3H3,(H,29,30)
InChIKeyRUPLHSKMNNTYKA-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.70
Rot. Bonds7

About 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine

6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine (PubChem CID 118607373) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine
PubChem CID118607373
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Name6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCC1CCNCC1
InChIInChI=1S/C27H36N4O3/c1-18-4-5-25(34-18)24-15-22(29-20-8-12-31(2)13-9-20)21-14-26(32-3)27(16-23(21)30-24)33-17-19-6-10-28-11-7-19/h4-5,14-16,19-20,28H,6-13,17H2,1-3H3,(H,29,30)
InChIKeyRUPLHSKMNNTYKA-UHFFFAOYSA-N
XLogP4.70
TPSA71.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine?
The IUPAC name of 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine (CID 118607373) is 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine.
What is the SMILES notation for 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine?
The canonical SMILES for 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine is COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCC1CCNCC1.
What is the InChIKey of 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine?
The InChIKey is RUPLHSKMNNTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-18-4-5-25(34-18)24-15-22(29-20-8-12-31(2)13-9-20)21-14-26(32-3)27(16-23(21)30-24)33-17-19-6-10-28-11-7-19/h4-5,14-16,19-20,28H,6-13,17H2,1-3H3,(H,29,30).
What are the key properties of 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine?
6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine has a molecular weight of 464.61 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine is sourced from PubChem (CID 118607373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).