N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine

C22H27N5 — CID 45488630

IUPACN,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(c2cccc(-c3cccc4cccnc34)n2)CC1
InChIInChI=1S/C22H27N5/c1-25(2)12-13-26-14-16-27(17-15-26)21-10-4-9-20(24-21)19-8-3-6-18-7-5-11-23-22(18)19/h3-11H,12-17H2,1-2H3
InChIKeyAPRXREQTHAGNPL-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.98
Rot. Bonds5

About N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine

N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine (PubChem CID 45488630) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine
PubChem CID45488630
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC NameN,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(c2cccc(-c3cccc4cccnc34)n2)CC1
InChIInChI=1S/C22H27N5/c1-25(2)12-13-26-14-16-27(17-15-26)21-10-4-9-20(24-21)19-8-3-6-18-7-5-11-23-22(18)19/h3-11H,12-17H2,1-2H3
InChIKeyAPRXREQTHAGNPL-UHFFFAOYSA-N
XLogP2.98
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine (CID 45488630) is N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine is CN(C)CCN1CCN(c2cccc(-c3cccc4cccnc34)n2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine?
The InChIKey is APRXREQTHAGNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-25(2)12-13-26-14-16-27(17-15-26)21-10-4-9-20(24-21)19-8-3-6-18-7-5-11-23-22(18)19/h3-11H,12-17H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine has a molecular weight of 361.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(6-quinolin-8-yl-2-pyridinyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 45488630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).