6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one

C26H28N4O — CID 52943811

IUPAC6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4c(C)ccc5[nH]c(=O)ccc45)CC3)cccc2n1
InChIInChI=1S/C26H28N4O/c1-18-6-10-24-21(9-11-26(31)28-24)20(18)12-13-29-14-16-30(17-15-29)25-5-3-4-23-22(25)8-7-19(2)27-23/h3-11H,12-17H2,1-2H3,(H,28,31)
InChIKeyWJEBTWQLGLLSGW-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.06
Rot. Bonds4

About 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one

6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one (PubChem CID 52943811) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one
PubChem CID52943811
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4c(C)ccc5[nH]c(=O)ccc45)CC3)cccc2n1
InChIInChI=1S/C26H28N4O/c1-18-6-10-24-21(9-11-26(31)28-24)20(18)12-13-29-14-16-30(17-15-29)25-5-3-4-23-22(25)8-7-19(2)27-23/h3-11H,12-17H2,1-2H3,(H,28,31)
InChIKeyWJEBTWQLGLLSGW-UHFFFAOYSA-N
XLogP4.06
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one (CID 52943811) is 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one is Cc1ccc2c(N3CCN(CCc4c(C)ccc5[nH]c(=O)ccc45)CC3)cccc2n1.
What is the InChIKey of 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one?
The InChIKey is WJEBTWQLGLLSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-18-6-10-24-21(9-11-26(31)28-24)20(18)12-13-29-14-16-30(17-15-29)25-5-3-4-23-22(25)8-7-19(2)27-23/h3-11H,12-17H2,1-2H3,(H,28,31).
What are the key properties of 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one?
6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one has a molecular weight of 412.54 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 52943811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).