4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione

C16H13N3O2 — CID 10802622

IUPAC4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione
SMILESCN1CCNc2c1ccc1c2C(=O)c2ccncc2C1=O
InChIInChI=1S/C16H13N3O2/c1-19-7-6-18-14-12(19)3-2-10-13(14)16(21)9-4-5-17-8-11(9)15(10)20/h2-5,8,18H,6-7H2,1H3
InChIKeyKORWUBRNYGAUHR-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.72
Rot. Bonds

About 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione

4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione (PubChem CID 10802622) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione
PubChem CID10802622
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione
SMILESCN1CCNc2c1ccc1c2C(=O)c2ccncc2C1=O
InChIInChI=1S/C16H13N3O2/c1-19-7-6-18-14-12(19)3-2-10-13(14)16(21)9-4-5-17-8-11(9)15(10)20/h2-5,8,18H,6-7H2,1H3
InChIKeyKORWUBRNYGAUHR-UHFFFAOYSA-N
XLogP1.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione with MolForge

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Related Compounds

Pixantrone
CID 134019
Naphtho(3,2-F)quinoxaline-7,12-dione
CID 12567021
9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748020
9-oxo-N-[2-(pyridin-4-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748637
9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748019
3-pentanoyl-6-(pyridin-4-ylmethyl)-1H-quinolin-4-one
CID 44560609
3-pentanoyl-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one
CID 44560610
(4-(Piperazin-1-yl)phenyl)(pyridin-3-yl)methanone
CID 1510322
N-(5-Ethyl-6-oxo-5,6-dihydro-phenanthridin-9-yl)-2-pyridin-4-yl-acetamide
CID 10247746
N-(5-Isopropyl-6-oxo-5,6-dihydro-phenanthridin-9-yl)-2-pyridin-4-yl-acetamide
CID 10384590
4-(Isoquinolin-6-ylamino)naphthalene-1,2-dione
CID 137628683
Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-, (2Z)-2-butenedioate (1:2)
CID 6449873

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione?
The IUPAC name of 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione (CID 10802622) is 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione.
What is the SMILES notation for 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione?
The canonical SMILES for 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione is CN1CCNc2c1ccc1c2C(=O)c2ccncc2C1=O.
What is the InChIKey of 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione?
The InChIKey is KORWUBRNYGAUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-19-7-6-18-14-12(19)3-2-10-13(14)16(21)9-4-5-17-8-11(9)15(10)20/h2-5,8,18H,6-7H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione?
4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione has a molecular weight of 279.30 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1H-isoquinolino[6,7-f]quinoxaline-7,12-dione is sourced from PubChem (CID 10802622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).