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

C20H22N4O — CID 39773460

IUPAC8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline
SMILESCOc1cccc2ccc(N3CCN(Cc4ccccn4)CC3)nc12
InChIInChI=1S/C20H22N4O/c1-25-18-7-4-5-16-8-9-19(22-20(16)18)24-13-11-23(12-14-24)15-17-6-2-3-10-21-17/h2-10H,11-15H2,1H3
InChIKeyBWKSNGYMCMJNOP-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.96
Rot. Bonds4

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

8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline (PubChem CID 39773460) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline
PubChem CID39773460
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline
SMILESCOc1cccc2ccc(N3CCN(Cc4ccccn4)CC3)nc12
InChIInChI=1S/C20H22N4O/c1-25-18-7-4-5-16-8-9-19(22-20(16)18)24-13-11-23(12-14-24)15-17-6-2-3-10-21-17/h2-10H,11-15H2,1H3
InChIKeyBWKSNGYMCMJNOP-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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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline?
The IUPAC name of 8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline (CID 39773460) is 8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline?
The canonical SMILES for 8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline is COc1cccc2ccc(N3CCN(Cc4ccccn4)CC3)nc12.
What is the InChIKey of 8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline?
The InChIKey is BWKSNGYMCMJNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-18-7-4-5-16-8-9-19(22-20(16)18)24-13-11-23(12-14-24)15-17-6-2-3-10-21-17/h2-10H,11-15H2,1H3.
What are the key properties of 8-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline?
8-methoxy-2-[4-(pyridin-2-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-2-ylmethyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 39773460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).