3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione

C25H30N2O3 — CID 659134

IUPAC3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCCC(C)(C)C3)c(=O)n(-c3ccccc3)c2C1
InChIInChI=1S/C25H30N2O3/c1-24(2)11-8-12-26(16-24)22(29)19-13-18-20(14-25(3,4)15-21(18)28)27(23(19)30)17-9-6-5-7-10-17/h5-7,9-10,13H,8,11-12,14-16H2,1-4H3
InChIKeyYSJJSQGCRORVEN-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.25
Rot. Bonds2

About 3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione

3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione (PubChem CID 659134) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione
PubChem CID659134
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCCC(C)(C)C3)c(=O)n(-c3ccccc3)c2C1
InChIInChI=1S/C25H30N2O3/c1-24(2)11-8-12-26(16-24)22(29)19-13-18-20(14-25(3,4)15-21(18)28)27(23(19)30)17-9-6-5-7-10-17/h5-7,9-10,13H,8,11-12,14-16H2,1-4H3
InChIKeyYSJJSQGCRORVEN-UHFFFAOYSA-N
XLogP4.25
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione?
The IUPAC name of 3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione (CID 659134) is 3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione.
What is the SMILES notation for 3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione?
The canonical SMILES for 3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione is CC1(C)CC(=O)c2cc(C(=O)N3CCCC(C)(C)C3)c(=O)n(-c3ccccc3)c2C1.
What is the InChIKey of 3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione?
The InChIKey is YSJJSQGCRORVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-24(2)11-8-12-26(16-24)22(29)19-13-18-20(14-25(3,4)15-21(18)28)27(23(19)30)17-9-6-5-7-10-17/h5-7,9-10,13H,8,11-12,14-16H2,1-4H3.
What are the key properties of 3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione?
3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione has a molecular weight of 406.53 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpiperidine-1-carbonyl)-7,7-dimethyl-1-phenyl-6,8-dihydroquinoline-2,5-dione is sourced from PubChem (CID 659134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).