6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione

C21H17N3O3 — CID 122188456

IUPAC6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)N1CCCCC1)c1ccccn21
InChIInChI=1S/C21H17N3O3/c25-19-13-7-6-9-22-17(13)20(26)18-16(19)15(14-8-2-5-12-24(14)18)21(27)23-10-3-1-4-11-23/h2,5-9,12H,1,3-4,10-11H2
InChIKeyAREXBGFAGWJBDT-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.74
Rot. Bonds1

About 6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione

6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione (PubChem CID 122188456) has the molecular formula C21H17N3O3 and a molecular weight of 359.38 g/mol. Its IUPAC name is 6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione.

Molecular Properties

Compound Name6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione
PubChem CID122188456
Molecular FormulaC21H17N3O3
Molecular Weight359.38 g/mol
Exact Mass359.13
IUPAC Name6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)N1CCCCC1)c1ccccn21
InChIInChI=1S/C21H17N3O3/c25-19-13-7-6-9-22-17(13)20(26)18-16(19)15(14-8-2-5-12-24(14)18)21(27)23-10-3-1-4-11-23/h2,5-9,12H,1,3-4,10-11H2
InChIKeyAREXBGFAGWJBDT-UHFFFAOYSA-N
XLogP2.74
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

CID 6604789
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CID 9908770
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CID 891946
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CID 13126949
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CID 12168373
CID 12168373
CID 1566157
CID 1566157
CID 9971844
CID 9971844
CID 10424702
CID 10424702
CID 56651358
CID 56651358
CID 56651692
CID 56651692
CID 69937236
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CID 69937258
CID 69937258

Frequently Asked Questions

What is the IUPAC name of 6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione?
The IUPAC name of 6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione (CID 122188456) is 6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione.
What is the SMILES notation for 6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione?
The canonical SMILES for 6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione is O=C1c2cccnc2C(=O)c2c1c(C(=O)N1CCCCC1)c1ccccn21.
What is the InChIKey of 6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione?
The InChIKey is AREXBGFAGWJBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-19-13-7-6-9-22-17(13)20(26)18-16(19)15(14-8-2-5-12-24(14)18)21(27)23-10-3-1-4-11-23/h2,5-9,12H,1,3-4,10-11H2.
What are the key properties of 6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione?
6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione has a molecular weight of 359.38 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidine-1-carbonyl)indolizino[2,3-g]quinoline-5,12-dione is sourced from PubChem (CID 122188456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).