pyrido[3,4-g]isoquinoline-1,6-dione

C12H6N2O2 — CID 68655731

IUPACpyrido[3,4-g]isoquinoline-1,6-dione
SMILESO=C1N=CC=c2cc3c(cc21)=CC=NC3=O
InChIInChI=1S/C12H6N2O2/c15-11-9-6-8-2-4-14-12(16)10(8)5-7(9)1-3-13-11/h1-6H
InChIKeyYJEWONFWQCKLTC-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.30
Rot. Bonds

About pyrido[3,4-g]isoquinoline-1,6-dione

pyrido[3,4-g]isoquinoline-1,6-dione (PubChem CID 68655731) has the molecular formula C12H6N2O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is pyrido[3,4-g]isoquinoline-1,6-dione.

Molecular Properties

Compound Namepyrido[3,4-g]isoquinoline-1,6-dione
PubChem CID68655731
Molecular FormulaC12H6N2O2
Molecular Weight210.19 g/mol
Exact Mass210.04
IUPAC Namepyrido[3,4-g]isoquinoline-1,6-dione
SMILESO=C1N=CC=c2cc3c(cc21)=CC=NC3=O
InChIInChI=1S/C12H6N2O2/c15-11-9-6-8-2-4-14-12(16)10(8)5-7(9)1-3-13-11/h1-6H
InChIKeyYJEWONFWQCKLTC-UHFFFAOYSA-N
XLogP-0.30
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrido[3,4-g]isoquinoline-1,6-dione?
The IUPAC name of pyrido[3,4-g]isoquinoline-1,6-dione (CID 68655731) is pyrido[3,4-g]isoquinoline-1,6-dione.
What is the SMILES notation for pyrido[3,4-g]isoquinoline-1,6-dione?
The canonical SMILES for pyrido[3,4-g]isoquinoline-1,6-dione is O=C1N=CC=c2cc3c(cc21)=CC=NC3=O.
What is the InChIKey of pyrido[3,4-g]isoquinoline-1,6-dione?
The InChIKey is YJEWONFWQCKLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O2/c15-11-9-6-8-2-4-14-12(16)10(8)5-7(9)1-3-13-11/h1-6H.
What are the key properties of pyrido[3,4-g]isoquinoline-1,6-dione?
pyrido[3,4-g]isoquinoline-1,6-dione has a molecular weight of 210.19 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,4-g]isoquinoline-1,6-dione is sourced from PubChem (CID 68655731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).