9H-pyrimido[1,2-a]quinoxaline

C11H9N3 — CID 90983910

IUPAC9H-pyrimido[1,2-a]quinoxaline
SMILESC1=CN2C(=CN=C3C=CCC=C32)N=C1
InChIInChI=1S/C11H9N3/c1-2-5-10-9(4-1)13-8-11-12-6-3-7-14(10)11/h1,3-8H,2H2
InChIKeyXNRHGKXTZZQDEM-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.98
Rot. Bonds

About 9H-pyrimido[1,2-a]quinoxaline

9H-pyrimido[1,2-a]quinoxaline (PubChem CID 90983910) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 9H-pyrimido[1,2-a]quinoxaline.

Molecular Properties

Compound Name9H-pyrimido[1,2-a]quinoxaline
PubChem CID90983910
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name9H-pyrimido[1,2-a]quinoxaline
SMILESC1=CN2C(=CN=C3C=CCC=C32)N=C1
InChIInChI=1S/C11H9N3/c1-2-5-10-9(4-1)13-8-11-12-6-3-7-14(10)11/h1,3-8H,2H2
InChIKeyXNRHGKXTZZQDEM-UHFFFAOYSA-N
XLogP1.98
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazino[2,1-b]quinazoline
CID 129653308
9H-pyrimido[1,2-a]quinoline
CID 91449658
8H-pyrido[1,2-a]pyrazine
CID 13337709
2H-pyrazino[2,3-b]quinolizine
CID 57315050
4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine
CID 59283470
9H-pyrazino[1,2-a]quinoxaline
CID 91192144
7,9a-dihydro-6H-pyrido[1,2-a]pyrimidine
CID 118369222
9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine
CID 118369228
1-ethenyl-4,6-dimethyl-2H-pyrimidine
CID 121329488
1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine
CID 173181305
1,2,8,9-Tetraethyl-9a-methylpyrimido[1,2-a]pyrimidine-5,9-diium
CID 160219461

Frequently Asked Questions

What is the IUPAC name of 9H-pyrimido[1,2-a]quinoxaline?
The IUPAC name of 9H-pyrimido[1,2-a]quinoxaline (CID 90983910) is 9H-pyrimido[1,2-a]quinoxaline.
What is the SMILES notation for 9H-pyrimido[1,2-a]quinoxaline?
The canonical SMILES for 9H-pyrimido[1,2-a]quinoxaline is C1=CN2C(=CN=C3C=CCC=C32)N=C1.
What is the InChIKey of 9H-pyrimido[1,2-a]quinoxaline?
The InChIKey is XNRHGKXTZZQDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-5-10-9(4-1)13-8-11-12-6-3-7-14(10)11/h1,3-8H,2H2.
What are the key properties of 9H-pyrimido[1,2-a]quinoxaline?
9H-pyrimido[1,2-a]quinoxaline has a molecular weight of 183.21 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrimido[1,2-a]quinoxaline is sourced from PubChem (CID 90983910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).