ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide

C12H17N3O — CID 145449190

IUPACethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide
SMILESCC.CC1=CC2N=C(C(N)=O)C=NC2C=C1
InChIInChI=1S/C10H11N3O.C2H6/c1-6-2-3-7-8(4-6)13-9(5-12-7)10(11)14;1-2/h2-5,7-8H,1H3,(H2,11,14);1-2H3
InChIKeyDXTZWYDWCRMPII-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.28
Rot. Bonds1

About ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide

ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide (PubChem CID 145449190) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide.

Molecular Properties

Compound Nameethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide
PubChem CID145449190
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Nameethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide
SMILESCC.CC1=CC2N=C(C(N)=O)C=NC2C=C1
InChIInChI=1S/C10H11N3O.C2H6/c1-6-2-3-7-8(4-6)13-9(5-12-7)10(11)14;1-2/h2-5,7-8H,1H3,(H2,11,14);1-2H3
InChIKeyDXTZWYDWCRMPII-UHFFFAOYSA-N
XLogP1.28
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide?
The IUPAC name of ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide (CID 145449190) is ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide.
What is the SMILES notation for ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide?
The canonical SMILES for ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide is CC.CC1=CC2N=C(C(N)=O)C=NC2C=C1.
What is the InChIKey of ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide?
The InChIKey is DXTZWYDWCRMPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C2H6/c1-6-2-3-7-8(4-6)13-9(5-12-7)10(11)14;1-2/h2-5,7-8H,1H3,(H2,11,14);1-2H3.
What are the key properties of ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide?
ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide is sourced from PubChem (CID 145449190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).