N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine

C30H35N3 — CID 86274057

IUPACN,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine
SMILESCCN(CC)C1CCN(C(C)c2cc(-c3ccc4ccccc4c3)nc3ccccc23)CC1
InChIInChI=1S/C30H35N3/c1-4-32(5-2)26-16-18-33(19-17-26)22(3)28-21-30(31-29-13-9-8-12-27(28)29)25-15-14-23-10-6-7-11-24(23)20-25/h6-15,20-22,26H,4-5,16-19H2,1-3H3
InChIKeyOXWPYKSFRXENSW-UHFFFAOYSA-N
MW437.63 g/mol
LogP6.92
Rot. Bonds6

About N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine

N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine (PubChem CID 86274057) has the molecular formula C30H35N3 and a molecular weight of 437.63 g/mol. Its IUPAC name is N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine
PubChem CID86274057
Molecular FormulaC30H35N3
Molecular Weight437.63 g/mol
Exact Mass437.28
IUPAC NameN,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine
SMILESCCN(CC)C1CCN(C(C)c2cc(-c3ccc4ccccc4c3)nc3ccccc23)CC1
InChIInChI=1S/C30H35N3/c1-4-32(5-2)26-16-18-33(19-17-26)22(3)28-21-30(31-29-13-9-8-12-27(28)29)25-15-14-23-10-6-7-11-24(23)20-25/h6-15,20-22,26H,4-5,16-19H2,1-3H3
InChIKeyOXWPYKSFRXENSW-UHFFFAOYSA-N
XLogP6.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9181
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DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
JP1302
CID 540335
1,1'-Diethyl-2,2'-cyanine iodide
CID 5484462
Benz(a)acridine
CID 9180
7-Methylbenz(c)acridine
CID 76861
Pinacyanol chloride
CID 6364575
Benzo(h)quinoline
CID 9191
9-Acridinamine, N-(phenylmethyl)-
CID 149800

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine (CID 86274057) is N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine is CCN(CC)C1CCN(C(C)c2cc(-c3ccc4ccccc4c3)nc3ccccc23)CC1.
What is the InChIKey of N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine?
The InChIKey is OXWPYKSFRXENSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3/c1-4-32(5-2)26-16-18-33(19-17-26)22(3)28-21-30(31-29-13-9-8-12-27(28)29)25-15-14-23-10-6-7-11-24(23)20-25/h6-15,20-22,26H,4-5,16-19H2,1-3H3.
What are the key properties of N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine?
N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine has a molecular weight of 437.63 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 86274057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).