6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione

C23H21N3O4 — CID 11574945

IUPAC6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione
SMILESO=C(c1cc(=O)c2cc3[nH]c(=O)oc3cc2[nH]1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H21N3O4/c27-20-12-19(24-17-13-21-18(11-16(17)20)25-23(29)30-21)22(28)26-8-6-15(7-9-26)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2,(H,24,27)(H,25,29)
InChIKeyHCVJMMUWUHUCPH-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.06
Rot. Bonds3

About 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione

6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione (PubChem CID 11574945) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione.

Molecular Properties

Compound Name6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione
PubChem CID11574945
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione
SMILESO=C(c1cc(=O)c2cc3[nH]c(=O)oc3cc2[nH]1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H21N3O4/c27-20-12-19(24-17-13-21-18(11-16(17)20)25-23(29)30-21)22(28)26-8-6-15(7-9-26)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2,(H,24,27)(H,25,29)
InChIKeyHCVJMMUWUHUCPH-UHFFFAOYSA-N
XLogP3.06
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione?
The IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione (CID 11574945) is 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione.
What is the SMILES notation for 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione?
The canonical SMILES for 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione is O=C(c1cc(=O)c2cc3[nH]c(=O)oc3cc2[nH]1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione?
The InChIKey is HCVJMMUWUHUCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-20-12-19(24-17-13-21-18(11-16(17)20)25-23(29)30-21)22(28)26-8-6-15(7-9-26)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2,(H,24,27)(H,25,29).
What are the key properties of 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione?
6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione has a molecular weight of 403.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidine-1-carbonyl)-1,5-dihydro-[1,3]oxazolo[4,5-g]quinoline-2,8-dione is sourced from PubChem (CID 11574945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).