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

C26H28N4O — CID 24804775

IUPAC1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)CC3)cccc2n1
InChIInChI=1S/C26H28N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-12H,13-18H2,1-2H3
InChIKeySITWRYHARVINLW-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.76
Rot. Bonds4

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

1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one (PubChem CID 24804775) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
PubChem CID24804775
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)CC3)cccc2n1
InChIInChI=1S/C26H28N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-12H,13-18H2,1-2H3
InChIKeySITWRYHARVINLW-UHFFFAOYSA-N
XLogP3.76
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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

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Related Compounds

Gsk163090
CID 11292933
(R)-tacrine(10)-hupyridone
CID 5326966
Centhaquine
CID 162163
4-(4-Methylpiperazino)-2-phenylquinoline
CID 453050
3-[3-[2-[4-(2-Methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 11304596
1-[3-[2-[4-(2-Methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-3-phenylurea
CID 11397149
2-fluoro-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 11419978
6-methyl-5-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-3,4-dihydro-2(1H)-quinolinone
CID 24762221
1,6-Dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
CID 24804774
1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
CID 24804942
5-[2-[(2S)-4-(7-fluoro-2-methylquinolin-5-yl)-2-methylpiperazin-1-yl]ethyl]-1,6-dimethylquinolin-2-one
CID 24804943
1-Ethyl-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea
CID 49850570

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
The IUPAC name of 1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one (CID 24804775) is 1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
The canonical SMILES for 1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one is Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)CC3)cccc2n1.
What is the InChIKey of 1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
The InChIKey is SITWRYHARVINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-12H,13-18H2,1-2H3.
What are the key properties of 1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one has a molecular weight of 412.54 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one is sourced from PubChem (CID 24804775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).