9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one

C13H14BrN3O2 — CID 58574809

IUPAC9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
SMILESO=c1c2ccc(Br)cc2nc2n1CCN(CCO)C2
InChIInChI=1S/C13H14BrN3O2/c14-9-1-2-10-11(7-9)15-12-8-16(5-6-18)3-4-17(12)13(10)19/h1-2,7,18H,3-6,8H2
InChIKeyNOHBXIGWTCPBSN-UHFFFAOYSA-N
MW324.18 g/mol
LogP0.97
Rot. Bonds2

About 9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one

9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one (PubChem CID 58574809) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
PubChem CID58574809
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
SMILESO=c1c2ccc(Br)cc2nc2n1CCN(CCO)C2
InChIInChI=1S/C13H14BrN3O2/c14-9-1-2-10-11(7-9)15-12-8-16(5-6-18)3-4-17(12)13(10)19/h1-2,7,18H,3-6,8H2
InChIKeyNOHBXIGWTCPBSN-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one?
The IUPAC name of 9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one (CID 58574809) is 9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one.
What is the SMILES notation for 9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one?
The canonical SMILES for 9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one is O=c1c2ccc(Br)cc2nc2n1CCN(CCO)C2.
What is the InChIKey of 9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one?
The InChIKey is NOHBXIGWTCPBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-9-1-2-10-11(7-9)15-12-8-16(5-6-18)3-4-17(12)13(10)19/h1-2,7,18H,3-6,8H2.
What are the key properties of 9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one?
9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one has a molecular weight of 324.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one is sourced from PubChem (CID 58574809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).