3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione

C18H17N3O2 — CID 10018090

IUPAC3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione
SMILESO=C1c2cccnc2C(=O)c2ncc(CN3CCCCC3)cc21
InChIInChI=1S/C18H17N3O2/c22-17-13-5-4-6-19-15(13)18(23)16-14(17)9-12(10-20-16)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2
InChIKeyHQKRMDLQCGBUJG-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.24
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione

3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione (PubChem CID 10018090) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione
PubChem CID10018090
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione
SMILESO=C1c2cccnc2C(=O)c2ncc(CN3CCCCC3)cc21
InChIInChI=1S/C18H17N3O2/c22-17-13-5-4-6-19-15(13)18(23)16-14(17)9-12(10-20-16)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2
InChIKeyHQKRMDLQCGBUJG-UHFFFAOYSA-N
XLogP2.24
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione?
The IUPAC name of 3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione (CID 10018090) is 3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione?
The canonical SMILES for 3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione is O=C1c2cccnc2C(=O)c2ncc(CN3CCCCC3)cc21.
What is the InChIKey of 3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione?
The InChIKey is HQKRMDLQCGBUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-17-13-5-4-6-19-15(13)18(23)16-14(17)9-12(10-20-16)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2.
What are the key properties of 3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione?
3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione has a molecular weight of 307.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione is sourced from PubChem (CID 10018090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).