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

C28H32N4O — CID 24804942

IUPAC1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1
InChIInChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m0/s1
InChIKeyUUWQIBYZFVEIMA-NRFANRHFSA-N
MW440.59 g/mol
LogP4.46
Rot. Bonds4

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

1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one (PubChem CID 24804942) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
PubChem CID24804942
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1
InChIInChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m0/s1
InChIKeyUUWQIBYZFVEIMA-NRFANRHFSA-N
XLogP4.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo(h)(1,6)naphthyridin-2(1H)-one
CID 49836027
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
5-[2-[(2S)-4-(7-fluoro-2-methylquinolin-5-yl)-2-methylpiperazin-1-yl]ethyl]-1,6-dimethylquinolin-2-one
CID 24804943
N-methyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)acetamide
CID 49850768
3-[3-[2-[4-(2-Methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazinan-2-one
CID 49850770
N-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)acetamide
CID 49850872
N-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)benzamide
CID 49850874
N-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)propanamide
CID 49852001
2-Methyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)propanamide
CID 49852002
2,2-Dimethyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)propanamide
CID 49852003
5-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-3,4-dihydro-2(1H)-quinolinone
CID 52942551

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
The IUPAC name of 1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one (CID 24804942) is 1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one.
What is the SMILES notation for 1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
The canonical SMILES for 1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one is Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1.
What is the InChIKey of 1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
The InChIKey is UUWQIBYZFVEIMA-NRFANRHFSA-N. The full InChI is InChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m0/s1.
What are the key properties of 1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one has a molecular weight of 440.59 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one is sourced from PubChem (CID 24804942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).