4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one

C21H30N2O2 — CID 97458513

IUPAC4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one
SMILESC[C@@H]1CCCCN1C(=O)CCCN1C(=O)CC(C)(C)c2ccccc21
InChIInChI=1S/C21H30N2O2/c1-16-9-6-7-13-22(16)19(24)12-8-14-23-18-11-5-4-10-17(18)21(2,3)15-20(23)25/h4-5,10-11,16H,6-9,12-15H2,1-3H3/t16-/m1/s1
InChIKeyXYKQISVHFBOLJA-MRXNPFEDSA-N
MW342.48 g/mol
LogP3.88
Rot. Bonds4

About 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one

4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one (PubChem CID 97458513) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one
PubChem CID97458513
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one
SMILESC[C@@H]1CCCCN1C(=O)CCCN1C(=O)CC(C)(C)c2ccccc21
InChIInChI=1S/C21H30N2O2/c1-16-9-6-7-13-22(16)19(24)12-8-14-23-18-11-5-4-10-17(18)21(2,3)15-20(23)25/h4-5,10-11,16H,6-9,12-15H2,1-3H3/t16-/m1/s1
InChIKeyXYKQISVHFBOLJA-MRXNPFEDSA-N
XLogP3.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one with MolForge

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Related Compounds

2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 18074489
4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide
CID 91938678
3a-methyl-4-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 55605110
1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
CID 68791500
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
5-methyl-2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 51192239
4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide
CID 91938677
5-bromo-2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 51192237
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
1-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-4,4-dimethyl-3H-quinolin-2-one
CID 97458315
3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one
CID 95783533
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one?
The IUPAC name of 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one (CID 97458513) is 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one?
The canonical SMILES for 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one is C[C@@H]1CCCCN1C(=O)CCCN1C(=O)CC(C)(C)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one?
The InChIKey is XYKQISVHFBOLJA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-9-6-7-13-22(16)19(24)12-8-14-23-18-11-5-4-10-17(18)21(2,3)15-20(23)25/h4-5,10-11,16H,6-9,12-15H2,1-3H3/t16-/m1/s1.
What are the key properties of 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one?
4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one has a molecular weight of 342.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one is sourced from PubChem (CID 97458513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).