1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

C25H32ClN3O — CID 1349679

IUPAC1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1
InChIInChI=1S/C25H32ClN3O/c1-24(2)18-25(3,19-9-11-20(26)12-10-19)21-7-5-6-8-22(21)29(24)23(30)17-28-15-13-27(4)14-16-28/h5-12H,13-18H2,1-4H3/t25-/m1/s1
InChIKeyYMDSAGGVFVRPDF-RUZDIDTESA-N
MW426.00 g/mol
LogP4.41
Rot. Bonds3

About 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 1349679) has the molecular formula C25H32ClN3O and a molecular weight of 426.00 g/mol. Its IUPAC name is 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID1349679
Molecular FormulaC25H32ClN3O
Molecular Weight426.00 g/mol
Exact Mass425.22
IUPAC Name1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1
InChIInChI=1S/C25H32ClN3O/c1-24(2)18-25(3,19-9-11-20(26)12-10-19)21-7-5-6-8-22(21)29(24)23(30)17-28-15-13-27(4)14-16-28/h5-12H,13-18H2,1-4H3/t25-/m1/s1
InChIKeyYMDSAGGVFVRPDF-RUZDIDTESA-N
XLogP4.41
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
CID 3761008
2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
CID 2864971
[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone
CID 3124468
1-[(4S)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 1129304
1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 3788442
1-[2-oxo-2-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 1224796
1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone
CID 3435348
[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 3721009
4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline
CID 162787257
2-[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2865968
(E)-1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 7122740
1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one
CID 15390256

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone (CID 1349679) is 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1.
What is the InChIKey of 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is YMDSAGGVFVRPDF-RUZDIDTESA-N. The full InChI is InChI=1S/C25H32ClN3O/c1-24(2)18-25(3,19-9-11-20(26)12-10-19)21-7-5-6-8-22(21)29(24)23(30)17-28-15-13-27(4)14-16-28/h5-12H,13-18H2,1-4H3/t25-/m1/s1.
What are the key properties of 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 426.00 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1349679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).