N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine

C28H37N3O2 — CID 53316932

IUPACN,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine
SMILESCCN(CC)CCOc1cc(-c2ccc(OCCN3CCCCC3)cc2)nc2ccccc12
InChIInChI=1S/C28H37N3O2/c1-3-30(4-2)18-21-33-28-22-27(29-26-11-7-6-10-25(26)28)23-12-14-24(15-13-23)32-20-19-31-16-8-5-9-17-31/h6-7,10-15,22H,3-5,8-9,16-21H2,1-2H3
InChIKeySZEAVGFUQWYCHB-UHFFFAOYSA-N
MW447.62 g/mol
LogP5.49
Rot. Bonds11

About N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine

N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine (PubChem CID 53316932) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine
PubChem CID53316932
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine
SMILESCCN(CC)CCOc1cc(-c2ccc(OCCN3CCCCC3)cc2)nc2ccccc12
InChIInChI=1S/C28H37N3O2/c1-3-30(4-2)18-21-33-28-22-27(29-26-11-7-6-10-25(26)28)23-12-14-24(15-13-23)32-20-19-31-16-8-5-9-17-31/h6-7,10-15,22H,3-5,8-9,16-21H2,1-2H3
InChIKeySZEAVGFUQWYCHB-UHFFFAOYSA-N
XLogP5.49
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine?
The IUPAC name of N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine (CID 53316932) is N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine?
The canonical SMILES for N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine is CCN(CC)CCOc1cc(-c2ccc(OCCN3CCCCC3)cc2)nc2ccccc12.
What is the InChIKey of N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine?
The InChIKey is SZEAVGFUQWYCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-3-30(4-2)18-21-33-28-22-27(29-26-11-7-6-10-25(26)28)23-12-14-24(15-13-23)32-20-19-31-16-8-5-9-17-31/h6-7,10-15,22H,3-5,8-9,16-21H2,1-2H3.
What are the key properties of N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine?
N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine has a molecular weight of 447.62 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-4-yl]oxyethanamine is sourced from PubChem (CID 53316932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).