6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione

C15H14N4O2 — CID 81307955

IUPAC6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1ccc(CNc2ccc3[nH]c(=O)c(=O)[nH]c3c2)nc1
InChIInChI=1S/C15H14N4O2/c1-9-2-3-11(16-7-9)8-17-10-4-5-12-13(6-10)19-15(21)14(20)18-12/h2-7,17H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyBPFNXJVCMKBYJL-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.53
Rot. Bonds3

About 6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione

6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 81307955) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID81307955
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1ccc(CNc2ccc3[nH]c(=O)c(=O)[nH]c3c2)nc1
InChIInChI=1S/C15H14N4O2/c1-9-2-3-11(16-7-9)8-17-10-4-5-12-13(6-10)19-15(21)14(20)18-12/h2-7,17H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyBPFNXJVCMKBYJL-UHFFFAOYSA-N
XLogP1.53
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione (CID 81307955) is 6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione is Cc1ccc(CNc2ccc3[nH]c(=O)c(=O)[nH]c3c2)nc1.
What is the InChIKey of 6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is BPFNXJVCMKBYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-2-3-11(16-7-9)8-17-10-4-5-12-13(6-10)19-15(21)14(20)18-12/h2-7,17H,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 282.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 81307955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).