3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide

C13H14BrN3O3 — CID 51331711

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C13H14BrN3O3/c1-16(20-2)12(18)5-6-17-8-15-11-4-3-9(14)7-10(11)13(17)19/h3-4,7-8H,5-6H2,1-2H3
InChIKeyLSAIFFFODJVSQN-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.57
Rot. Bonds4

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide (PubChem CID 51331711) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
PubChem CID51331711
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C13H14BrN3O3/c1-16(20-2)12(18)5-6-17-8-15-11-4-3-9(14)7-10(11)13(17)19/h3-4,7-8H,5-6H2,1-2H3
InChIKeyLSAIFFFODJVSQN-UHFFFAOYSA-N
XLogP1.57
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 38046402
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide
CID 134061062
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 30292156
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 24622378
2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 39934425
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55512357
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207
tert-butyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 31122265
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide (CID 51331711) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide is CON(C)C(=O)CCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide?
The InChIKey is LSAIFFFODJVSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-16(20-2)12(18)5-6-17-8-15-11-4-3-9(14)7-10(11)13(17)19/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide has a molecular weight of 340.18 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 51331711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).