6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C13H14BrN3O — CID 58574688

IUPAC6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCNCC1CCc2nc3cc(Br)ccc3c(=O)n21
InChIInChI=1S/C13H14BrN3O/c1-15-7-9-3-5-12-16-11-6-8(14)2-4-10(11)13(18)17(9)12/h2,4,6,9,15H,3,5,7H2,1H3
InChIKeyUOLWGTUVJMXUBC-UHFFFAOYSA-N
MW308.18 g/mol
LogP1.87
Rot. Bonds2

About 6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 58574688) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID58574688
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCNCC1CCc2nc3cc(Br)ccc3c(=O)n21
InChIInChI=1S/C13H14BrN3O/c1-15-7-9-3-5-12-16-11-6-8(14)2-4-10(11)13(18)17(9)12/h2,4,6,9,15H,3,5,7H2,1H3
InChIKeyUOLWGTUVJMXUBC-UHFFFAOYSA-N
XLogP1.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-6-bromo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;6-bromo-1-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;sulfur trioxide
CID 158361027
3-bromo-8-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 58574237
6-bromo-1-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-ethynylpyridine;bis(1-(methoxymethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);hydrochloride
CID 161121258
9-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
CID 58574809
3-bromo-7,7-bis(hydroxymethyl)-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112123
6-bromo-1,9-diazatetracyclo[8.5.0.03,8.011,13]pentadeca-3(8),4,6,9-tetraen-2-one
CID 58574280
tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate
CID 156889220
9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
CID 58574881
7-bromo-2-(chloromethyl)-3-(piperidin-2-ylmethyl)quinazolin-4-one
CID 58574145
7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one
CID 136705321
7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one
CID 86100859
8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one
CID 169263748

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 58574688) is 6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is CNCC1CCc2nc3cc(Br)ccc3c(=O)n21.
What is the InChIKey of 6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is UOLWGTUVJMXUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-15-7-9-3-5-12-16-11-6-8(14)2-4-10(11)13(18)17(9)12/h2,4,6,9,15H,3,5,7H2,1H3.
What are the key properties of 6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 308.18 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(methylaminomethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 58574688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).