3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide

C19H24BrN3O4S — CID 55509697

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCCCCN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24BrN3O4S/c1-2-3-8-23(15-7-10-28(26,27)12-15)18(24)6-9-22-13-21-17-5-4-14(20)11-16(17)19(22)25/h4-5,11,13,15H,2-3,6-10,12H2,1H3
InChIKeyXAPBYVQZQYKYFF-UHFFFAOYSA-N
MW470.39 g/mol
LogP2.36
Rot. Bonds7

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 55509697) has the molecular formula C19H24BrN3O4S and a molecular weight of 470.39 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID55509697
Molecular FormulaC19H24BrN3O4S
Molecular Weight470.39 g/mol
Exact Mass469.07
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCCCCN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24BrN3O4S/c1-2-3-8-23(15-7-10-28(26,27)12-15)18(24)6-9-22-13-21-17-5-4-14(20)11-16(17)19(22)25/h4-5,11,13,15H,2-3,6-10,12H2,1H3
InChIKeyXAPBYVQZQYKYFF-UHFFFAOYSA-N
XLogP2.36
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide
CID 134061062
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 84993885
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 30292156
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
CID 55571699
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55507951
2-(6-bromoquinazolin-4-yl)oxy-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 2998405
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 7628299
methyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl-methylamino]butanoate
CID 36627249
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 42985121
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 38046402
4-bromo-N-butyl-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrrole-2-carboxamide
CID 55824875
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide (CID 55509697) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide is CCCCN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is XAPBYVQZQYKYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O4S/c1-2-3-8-23(15-7-10-28(26,27)12-15)18(24)6-9-22-13-21-17-5-4-14(20)11-16(17)19(22)25/h4-5,11,13,15H,2-3,6-10,12H2,1H3.
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 470.39 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 55509697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).