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

C28H36N4O4 — CID 118613626

IUPAC4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one
SMILESCOc1cc2c(NC3CCN(C)C(=O)C3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C28H36N4O4/c1-19-7-8-25(36-19)24-17-22(29-20-9-13-31(2)28(33)15-20)21-16-26(34-3)27(18-23(21)30-24)35-14-6-12-32-10-4-5-11-32/h7-8,16-18,20H,4-6,9-15H2,1-3H3,(H,29,30)
InChIKeyFDUSNRNFGPEONK-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.71
Rot. Bonds9

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

4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one (PubChem CID 118613626) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one
PubChem CID118613626
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC Name4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one
SMILESCOc1cc2c(NC3CCN(C)C(=O)C3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C28H36N4O4/c1-19-7-8-25(36-19)24-17-22(29-20-9-13-31(2)28(33)15-20)21-16-26(34-3)27(18-23(21)30-24)35-14-6-12-32-10-4-5-11-32/h7-8,16-18,20H,4-6,9-15H2,1-3H3,(H,29,30)
InChIKeyFDUSNRNFGPEONK-UHFFFAOYSA-N
XLogP4.71
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one?
The IUPAC name of 4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one (CID 118613626) is 4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for 4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one is COc1cc2c(NC3CCN(C)C(=O)C3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one?
The InChIKey is FDUSNRNFGPEONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-19-7-8-25(36-19)24-17-22(29-20-9-13-31(2)28(33)15-20)21-16-26(34-3)27(18-23(21)30-24)35-14-6-12-32-10-4-5-11-32/h7-8,16-18,20H,4-6,9-15H2,1-3H3,(H,29,30).
What are the key properties of 4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one?
4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 492.62 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 118613626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).