N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine

C24H37N3O — CID 44533334

IUPACN-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine
SMILESCCCCCCCN1CCC(CCNc2ccnc3ccc(OC)cc23)CC1
InChIInChI=1S/C24H37N3O/c1-3-4-5-6-7-16-27-17-12-20(13-18-27)10-14-25-24-11-15-26-23-9-8-21(28-2)19-22(23)24/h8-9,11,15,19-20H,3-7,10,12-14,16-18H2,1-2H3,(H,25,26)
InChIKeyFYIWSGCOIANIPZ-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.73
Rot. Bonds11

About N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine

N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine (PubChem CID 44533334) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine
PubChem CID44533334
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine
SMILESCCCCCCCN1CCC(CCNc2ccnc3ccc(OC)cc23)CC1
InChIInChI=1S/C24H37N3O/c1-3-4-5-6-7-16-27-17-12-20(13-18-27)10-14-25-24-11-15-26-23-9-8-21(28-2)19-22(23)24/h8-9,11,15,19-20H,3-7,10,12-14,16-18H2,1-2H3,(H,25,26)
InChIKeyFYIWSGCOIANIPZ-UHFFFAOYSA-N
XLogP5.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine?
The IUPAC name of N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine (CID 44533334) is N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine.
What is the SMILES notation for N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine?
The canonical SMILES for N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine is CCCCCCCN1CCC(CCNc2ccnc3ccc(OC)cc23)CC1.
What is the InChIKey of N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine?
The InChIKey is FYIWSGCOIANIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-3-4-5-6-7-16-27-17-12-20(13-18-27)10-14-25-24-11-15-26-23-9-8-21(28-2)19-22(23)24/h8-9,11,15,19-20H,3-7,10,12-14,16-18H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine?
N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine has a molecular weight of 383.58 g/mol, XLogP of 5.73, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-heptylpiperidin-4-yl)ethyl]-6-methoxyquinolin-4-amine is sourced from PubChem (CID 44533334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).