8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline

C20H22N4O — CID 39756713

IUPAC8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
SMILESCOc1cccc2ccc(N3CCN(Cc4cccnc4)CC3)nc12
InChIInChI=1S/C20H22N4O/c1-25-18-6-2-5-17-7-8-19(22-20(17)18)24-12-10-23(11-13-24)15-16-4-3-9-21-14-16/h2-9,14H,10-13,15H2,1H3
InChIKeyHIAIJFAJHQWEAV-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.96
Rot. Bonds4

About 8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline

8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline (PubChem CID 39756713) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
PubChem CID39756713
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
SMILESCOc1cccc2ccc(N3CCN(Cc4cccnc4)CC3)nc12
InChIInChI=1S/C20H22N4O/c1-25-18-6-2-5-17-7-8-19(22-20(17)18)24-12-10-23(11-13-24)15-16-4-3-9-21-14-16/h2-9,14H,10-13,15H2,1H3
InChIKeyHIAIJFAJHQWEAV-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
1-(4-methoxyphenyl)-3-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 83285336
4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one
CID 39736267
5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 166456439
2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 110709120
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane
CID 56918448
2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 171326651
2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 46956786
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline?
The IUPAC name of 8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline (CID 39756713) is 8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline?
The canonical SMILES for 8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline is COc1cccc2ccc(N3CCN(Cc4cccnc4)CC3)nc12.
What is the InChIKey of 8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline?
The InChIKey is HIAIJFAJHQWEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-18-6-2-5-17-7-8-19(22-20(17)18)24-12-10-23(11-13-24)15-16-4-3-9-21-14-16/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline?
8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline has a molecular weight of 334.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 39756713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).