N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

C30H40N4O3 — CID 118613624

IUPACN-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C4CC4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C30H40N4O3/c1-21-6-9-28(37-21)27-19-25(31-22-10-15-34(16-11-22)23-7-8-23)24-18-29(35-2)30(20-26(24)32-27)36-17-5-14-33-12-3-4-13-33/h6,9,18-20,22-23H,3-5,7-8,10-17H2,1-2H3,(H,31,32)
InChIKeyBIJYNDLTSDYKHJ-UHFFFAOYSA-N
MW504.68 g/mol
LogP5.72
Rot. Bonds10

About N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (PubChem CID 118613624) has the molecular formula C30H40N4O3 and a molecular weight of 504.68 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
PubChem CID118613624
Molecular FormulaC30H40N4O3
Molecular Weight504.68 g/mol
Exact Mass504.31
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C4CC4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C30H40N4O3/c1-21-6-9-28(37-21)27-19-25(31-22-10-15-34(16-11-22)23-7-8-23)24-18-29(35-2)30(20-26(24)32-27)36-17-5-14-33-12-3-4-13-33/h6,9,18-20,22-23H,3-5,7-8,10-17H2,1-2H3,(H,31,32)
InChIKeyBIJYNDLTSDYKHJ-UHFFFAOYSA-N
XLogP5.72
TPSA63.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 55.72
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 N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (CID 118613624) is N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is COc1cc2c(NC3CCN(C4CC4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The InChIKey is BIJYNDLTSDYKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O3/c1-21-6-9-28(37-21)27-19-25(31-22-10-15-34(16-11-22)23-7-8-23)24-18-29(35-2)30(20-26(24)32-27)36-17-5-14-33-12-3-4-13-33/h6,9,18-20,22-23H,3-5,7-8,10-17H2,1-2H3,(H,31,32).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine has a molecular weight of 504.68 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 118613624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).