(3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one

C24H30F3N3O3 — CID 162562374

IUPAC(3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESC[C@@H]1Cc2ccc(C(F)(F)F)cc2N(CC2CCC(C(=O)N3CCN(C)C(=O)C3)CC2)C1=O
InChIInChI=1S/C24H30F3N3O3/c1-15-11-18-7-8-19(24(25,26)27)12-20(18)30(22(15)32)13-16-3-5-17(6-4-16)23(33)29-10-9-28(2)21(31)14-29/h7-8,12,15-17H,3-6,9-11,13-14H2,1-2H3/t15-,16?,17?/m1/s1
InChIKeyAXDBWGNRPUFAJX-KLAILNCOSA-N
MW465.52 g/mol
LogP3.34
Rot. Bonds3

About (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one

(3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one (PubChem CID 162562374) has the molecular formula C24H30F3N3O3 and a molecular weight of 465.52 g/mol. Its IUPAC name is (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
PubChem CID162562374
Molecular FormulaC24H30F3N3O3
Molecular Weight465.52 g/mol
Exact Mass465.22
IUPAC Name(3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESC[C@@H]1Cc2ccc(C(F)(F)F)cc2N(CC2CCC(C(=O)N3CCN(C)C(=O)C3)CC2)C1=O
InChIInChI=1S/C24H30F3N3O3/c1-15-11-18-7-8-19(24(25,26)27)12-20(18)30(22(15)32)13-16-3-5-17(6-4-16)23(33)29-10-9-28(2)21(31)14-29/h7-8,12,15-17H,3-6,9-11,13-14H2,1-2H3/t15-,16?,17?/m1/s1
InChIKeyAXDBWGNRPUFAJX-KLAILNCOSA-N
XLogP3.34
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea
CID 178034533
4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 64694555
tert-butyl N-[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]carbamate
CID 178034394
1-methyl-3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one
CID 123770507
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-(trifluoromethyl)benzoic acid
CID 79530261
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 145431015
acetylene;[(1S,3R)-3-aminocyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;propane
CID 143137063
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 55891693
1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
CID 146525607
1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one
CID 26986199
4-(cyclopropanecarbonyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 47032802
1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
CID 117206073

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one (CID 162562374) is (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one is C[C@@H]1Cc2ccc(C(F)(F)F)cc2N(CC2CCC(C(=O)N3CCN(C)C(=O)C3)CC2)C1=O.
What is the InChIKey of (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is AXDBWGNRPUFAJX-KLAILNCOSA-N. The full InChI is InChI=1S/C24H30F3N3O3/c1-15-11-18-7-8-19(24(25,26)27)12-20(18)30(22(15)32)13-16-3-5-17(6-4-16)23(33)29-10-9-28(2)21(31)14-29/h7-8,12,15-17H,3-6,9-11,13-14H2,1-2H3/t15-,16?,17?/m1/s1.
What are the key properties of (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
(3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 465.52 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 162562374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).