9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one

C14H14BrN3O — CID 58574881

IUPAC9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
SMILESC=CCN1CCn2c(nc3cc(Br)ccc3c2=O)C1
InChIInChI=1S/C14H14BrN3O/c1-2-5-17-6-7-18-13(9-17)16-12-8-10(15)3-4-11(12)14(18)19/h2-4,8H,1,5-7,9H2
InChIKeyRSOQWHCNIUBIGJ-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.16
Rot. Bonds2

About 9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one

9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one (PubChem CID 58574881) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
PubChem CID58574881
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
SMILESC=CCN1CCn2c(nc3cc(Br)ccc3c2=O)C1
InChIInChI=1S/C14H14BrN3O/c1-2-5-17-6-7-18-13(9-17)16-12-8-10(15)3-4-11(12)14(18)19/h2-4,8H,1,5-7,9H2
InChIKeyRSOQWHCNIUBIGJ-UHFFFAOYSA-N
XLogP2.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
CID 58574809
3-bromoprop-1-ene;9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;9-bromo-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one;deuterio(fluoro)methane;1-ethynyl-3-fluorobenzene;9-[2-(3-fluorophenyl)ethynyl]-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
CID 161492969
3-bromo-7,7-bis(hydroxymethyl)-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112123
3-bromo-8-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 58574237
3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 58574574
10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one
CID 90249541
6-bromo-1,9-diazatetracyclo[8.5.0.03,8.011,13]pentadeca-3(8),4,6,9-tetraen-2-one
CID 58574280
3-benzyl-11-oxo-N-prop-2-enyl-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide
CID 95802009
7-bromo-3-pent-4-enylquinazolin-4-one
CID 78992940
8-bromo-3-methyl-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one;1-ethynyl-4-fluorobenzene;8-[2-(4-fluorophenyl)ethynyl]-3-methyl-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 158590042
6-bromo-2-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;1-ethenyl-3-fluorobenzene;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 158148738
1-bromobutane;9-bromo-2-butyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;9-bromo-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one;bis(2-butyl-9-[2-(3-fluorophenyl)ethynyl]-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one);deuterio(fluoro)methane;1-ethynyl-3-fluorobenzene;dihydrochloride
CID 160653306

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one?
The IUPAC name of 9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one (CID 58574881) is 9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one.
What is the SMILES notation for 9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one?
The canonical SMILES for 9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one is C=CCN1CCn2c(nc3cc(Br)ccc3c2=O)C1.
What is the InChIKey of 9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one?
The InChIKey is RSOQWHCNIUBIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-2-5-17-6-7-18-13(9-17)16-12-8-10(15)3-4-11(12)14(18)19/h2-4,8H,1,5-7,9H2.
What are the key properties of 9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one?
9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one has a molecular weight of 320.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one is sourced from PubChem (CID 58574881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).