5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

C25H28N4O — CID 52942551

IUPAC5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5)CC3)cccc2n1
InChIInChI=1S/C25H28N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-9H,10-17H2,1H3,(H,27,30)
InChIKeyVFFOKQFHFJASRW-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.79
Rot. Bonds4

About 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 52942551) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID52942551
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5)CC3)cccc2n1
InChIInChI=1S/C25H28N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-9H,10-17H2,1H3,(H,27,30)
InChIKeyVFFOKQFHFJASRW-UHFFFAOYSA-N
XLogP3.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

SB 414240
CID 9806459
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 9830361
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
CID 9872857
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
1-[3-[2-[4-(2-Methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-3-propylurea
CID 49850571
1-Tert-butyl-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea
CID 49850668

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 52942551) is 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5)CC3)cccc2n1.
What is the InChIKey of 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VFFOKQFHFJASRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-9H,10-17H2,1H3,(H,27,30).
What are the key properties of 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 400.53 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 52942551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).