(2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid

C19H24N2O5 — CID 122115720

IUPAC(2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C19H24N2O5/c1-10-11(18(25)26)5-4-6-21(10)17(24)13-7-12-14(20-16(13)23)8-19(2,3)9-15(12)22/h7,10-11H,4-6,8-9H2,1-3H3,(H,20,23)(H,25,26)/t10-,11-/m1/s1
InChIKeySNBMHLOTQZQUEH-GHMZBOCLSA-N
MW360.41 g/mol
LogP1.86
Rot. Bonds2

About (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 122115720) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID122115720
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name(2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C19H24N2O5/c1-10-11(18(25)26)5-4-6-21(10)17(24)13-7-12-14(20-16(13)23)8-19(2,3)9-15(12)22/h7,10-11H,4-6,8-9H2,1-3H3,(H,20,23)(H,25,26)/t10-,11-/m1/s1
InChIKeySNBMHLOTQZQUEH-GHMZBOCLSA-N
XLogP1.86
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
CID 17020151
3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 56564223
(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115205
7,7-dimethyl-3-(2,2,3,3-tetramethylazetidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
CID 71925205
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 120655797
3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 56564846
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride
CID 120736535
7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
CID 56559869
6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
CID 84675035
N,N-diethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495491
1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56567035
7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
CID 56559881

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid (CID 122115720) is (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.
What is the InChIKey of (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is SNBMHLOTQZQUEH-GHMZBOCLSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-10-11(18(25)26)5-4-6-21(10)17(24)13-7-12-14(20-16(13)23)8-19(2,3)9-15(12)22/h7,10-11H,4-6,8-9H2,1-3H3,(H,20,23)(H,25,26)/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122115720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).