3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline

C21H24N4 — CID 4682251

IUPAC3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
SMILESCCc1ccc(C(c2cnc3ccccc3c2)N2CCNCC2)nc1
InChIInChI=1S/C21H24N4/c1-2-16-7-8-20(23-14-16)21(25-11-9-22-10-12-25)18-13-17-5-3-4-6-19(17)24-15-18/h3-8,13-15,21-22H,2,9-12H2,1H3
InChIKeyMFXUBJVXPWDYRN-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.19
Rot. Bonds4

About 3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline

3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline (PubChem CID 4682251) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline.

Molecular Properties

Compound Name3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
PubChem CID4682251
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
SMILESCCc1ccc(C(c2cnc3ccccc3c2)N2CCNCC2)nc1
InChIInChI=1S/C21H24N4/c1-2-16-7-8-20(23-14-16)21(25-11-9-22-10-12-25)18-13-17-5-3-4-6-19(17)24-15-18/h3-8,13-15,21-22H,2,9-12H2,1H3
InChIKeyMFXUBJVXPWDYRN-UHFFFAOYSA-N
XLogP3.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 3580411
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
CID 3953500
3-[(2-bromophenyl)-piperazin-1-ylmethyl]quinoline
CID 3951791
3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline
CID 3563133
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5125163
3-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 3978003
3-[1,4-diazepan-1-yl-(3-methyl-4-pyridinyl)methyl]quinoline
CID 3704590
1-[(5-ethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3783871
3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-piperazin-1-ylmethyl]quinoline
CID 3809399
1-[(5-ethyl-2-pyridinyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3808021
3-[(5-bromo-2-ethoxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline
CID 3335936
3-[(2,3-dimethoxyphenyl)-piperazin-1-ylmethyl]quinoline
CID 3831129

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
The IUPAC name of 3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline (CID 4682251) is 3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline.
What is the SMILES notation for 3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
The canonical SMILES for 3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline is CCc1ccc(C(c2cnc3ccccc3c2)N2CCNCC2)nc1.
What is the InChIKey of 3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
The InChIKey is MFXUBJVXPWDYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-16-7-8-20(23-14-16)21(25-11-9-22-10-12-25)18-13-17-5-3-4-6-19(17)24-15-18/h3-8,13-15,21-22H,2,9-12H2,1H3.
What are the key properties of 3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline has a molecular weight of 332.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline is sourced from PubChem (CID 4682251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).