[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate

C20H25BrN4O5 — CID 55517542

IUPAC[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C20H25BrN4O5/c1-20(2,3)23-16(26)10-24(4)17(27)11-30-18(28)7-8-25-12-22-15-6-5-13(21)9-14(15)19(25)29/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,23,26)
InChIKeyAOPXAZKEPBQPBL-UHFFFAOYSA-N
MW481.35 g/mol
LogP1.47
Rot. Bonds7

About [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate (PubChem CID 55517542) has the molecular formula C20H25BrN4O5 and a molecular weight of 481.35 g/mol. Its IUPAC name is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
PubChem CID55517542
Molecular FormulaC20H25BrN4O5
Molecular Weight481.35 g/mol
Exact Mass480.10
IUPAC Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C20H25BrN4O5/c1-20(2,3)23-16(26)10-24(4)17(27)11-30-18(28)7-8-25-12-22-15-6-5-13(21)9-14(15)19(25)29/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,23,26)
InChIKeyAOPXAZKEPBQPBL-UHFFFAOYSA-N
XLogP1.47
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate with MolForge

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55512357
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401
methyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl-methylamino]butanoate
CID 36627249
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
CID 55517103
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
CID 51331711
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 38046402
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 55449254
2-(4-propoxyphenoxy)ethyl 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
CID 55516743
N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119571304
5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide
CID 63578850
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
CID 55571699

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate (CID 55517542) is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate is CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)CCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate?
The InChIKey is AOPXAZKEPBQPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O5/c1-20(2,3)23-16(26)10-24(4)17(27)11-30-18(28)7-8-25-12-22-15-6-5-13(21)9-14(15)19(25)29/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,23,26).
What are the key properties of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate?
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate has a molecular weight of 481.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 55517542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).