4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione

C19H19N3O2 — CID 56640371

IUPAC4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione
SMILESCc1cccc(-n2c(=O)c(=O)[nH]c3c4c(ccc32)CCCC4)c1N
InChIInChI=1S/C19H19N3O2/c1-11-5-4-8-14(16(11)20)22-15-10-9-12-6-2-3-7-13(12)17(15)21-18(23)19(22)24/h4-5,8-10H,2-3,6-7,20H2,1H3,(H,21,23)
InChIKeyLWTXCEHEAWPNEF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.45
Rot. Bonds1

About 4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione

4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione (PubChem CID 56640371) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione
PubChem CID56640371
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione
SMILESCc1cccc(-n2c(=O)c(=O)[nH]c3c4c(ccc32)CCCC4)c1N
InChIInChI=1S/C19H19N3O2/c1-11-5-4-8-14(16(11)20)22-15-10-9-12-6-2-3-7-13(12)17(15)21-18(23)19(22)24/h4-5,8-10H,2-3,6-7,20H2,1H3,(H,21,23)
InChIKeyLWTXCEHEAWPNEF-UHFFFAOYSA-N
XLogP2.45
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione?
The IUPAC name of 4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione (CID 56640371) is 4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione.
What is the SMILES notation for 4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione?
The canonical SMILES for 4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione is Cc1cccc(-n2c(=O)c(=O)[nH]c3c4c(ccc32)CCCC4)c1N.
What is the InChIKey of 4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione?
The InChIKey is LWTXCEHEAWPNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-5-4-8-14(16(11)20)22-15-10-9-12-6-2-3-7-13(12)17(15)21-18(23)19(22)24/h4-5,8-10H,2-3,6-7,20H2,1H3,(H,21,23).
What are the key properties of 4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione?
4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione has a molecular weight of 321.38 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methylphenyl)-7,8,9,10-tetrahydro-1H-benzo[f]quinoxaline-2,3-dione is sourced from PubChem (CID 56640371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).