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

C26H34N4O4 — CID 118613628

IUPAC3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(-c2ccc(C)o2)nc2cc(OCCCN3CCCC3)c(OC)cc12
InChIInChI=1S/C26H34N4O4/c1-18-7-8-23(34-18)22-16-20(28-10-9-26(31)27-2)19-15-24(32-3)25(17-21(19)29-22)33-14-6-13-30-11-4-5-12-30/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyBAJGTIKDJKXLMX-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.22
Rot. Bonds11

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

3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide (PubChem CID 118613628) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide
PubChem CID118613628
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(-c2ccc(C)o2)nc2cc(OCCCN3CCCC3)c(OC)cc12
InChIInChI=1S/C26H34N4O4/c1-18-7-8-23(34-18)22-16-20(28-10-9-26(31)27-2)19-15-24(32-3)25(17-21(19)29-22)33-14-6-13-30-11-4-5-12-30/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyBAJGTIKDJKXLMX-UHFFFAOYSA-N
XLogP4.22
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of 3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide?
The IUPAC name of 3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide (CID 118613628) is 3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide is CNC(=O)CCNc1cc(-c2ccc(C)o2)nc2cc(OCCCN3CCCC3)c(OC)cc12.
What is the InChIKey of 3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide?
The InChIKey is BAJGTIKDJKXLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-18-7-8-23(34-18)22-16-20(28-10-9-26(31)27-2)19-15-24(32-3)25(17-21(19)29-22)33-14-6-13-30-11-4-5-12-30/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of 3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide?
3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide has a molecular weight of 466.58 g/mol, XLogP of 4.22, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 118613628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).