6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one

C22H26N4O2 — CID 56904800

IUPAC6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CN3CCN(Cc4ncccc4C)CC3)cc2c1
InChIInChI=1S/C22H26N4O2/c1-16-4-3-7-23-21(16)15-26-10-8-25(9-11-26)14-18-12-17-13-19(28-2)5-6-20(17)24-22(18)27/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)
InChIKeyPFKRGZBZMYSGEC-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.56
Rot. Bonds5

About 6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one

6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 56904800) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID56904800
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CN3CCN(Cc4ncccc4C)CC3)cc2c1
InChIInChI=1S/C22H26N4O2/c1-16-4-3-7-23-21(16)15-26-10-8-25(9-11-26)14-18-12-17-13-19(28-2)5-6-20(17)24-22(18)27/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)
InChIKeyPFKRGZBZMYSGEC-UHFFFAOYSA-N
XLogP2.56
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one (CID 56904800) is 6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CN3CCN(Cc4ncccc4C)CC3)cc2c1.
What is the InChIKey of 6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is PFKRGZBZMYSGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-4-3-7-23-21(16)15-26-10-8-25(9-11-26)14-18-12-17-13-19(28-2)5-6-20(17)24-22(18)27/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27).
What are the key properties of 6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one?
6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56904800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).