6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one

C14H19BrN4O — CID 62563598

IUPAC6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
SMILESCN(C)CCNCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C14H19BrN4O/c1-18(2)7-5-16-6-8-19-10-17-13-4-3-11(15)9-12(13)14(19)20/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyMGLUPAWFSQBLGL-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.31
Rot. Bonds6

About 6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one

6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one (PubChem CID 62563598) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
PubChem CID62563598
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
SMILESCN(C)CCNCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C14H19BrN4O/c1-18(2)7-5-16-6-8-19-10-17-13-4-3-11(15)9-12(13)14(19)20/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyMGLUPAWFSQBLGL-UHFFFAOYSA-N
XLogP1.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[2-(propylamino)ethyl]quinazolin-4-one
CID 62563599
6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one
CID 62563601
6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 62563754
6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one
CID 62563597
6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one
CID 17409122
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
CID 51331711
N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide
CID 71906290
2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione
CID 7886495
methyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl-methylamino]butanoate
CID 36627249
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
CID 55571699
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 39934425

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one (CID 62563598) is 6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one is CN(C)CCNCCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one?
The InChIKey is MGLUPAWFSQBLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-18(2)7-5-16-6-8-19-10-17-13-4-3-11(15)9-12(13)14(19)20/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of 6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one?
6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one has a molecular weight of 339.24 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one is sourced from PubChem (CID 62563598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).