methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate

C12H11BrN2O4 — CID 146973825

IUPACmethyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate
SMILESCOC(=O)C(O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C12H11BrN2O4/c1-19-12(18)10(16)5-15-6-14-9-3-2-7(13)4-8(9)11(15)17/h2-4,6,10,16H,5H2,1H3
InChIKeyAMYKJJFIZZXJFW-UHFFFAOYSA-N
MW327.13 g/mol
LogP0.69
Rot. Bonds3

About methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate

methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate (PubChem CID 146973825) has the molecular formula C12H11BrN2O4 and a molecular weight of 327.13 g/mol. Its IUPAC name is methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate
PubChem CID146973825
Molecular FormulaC12H11BrN2O4
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Namemethyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate
SMILESCOC(=O)C(O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C12H11BrN2O4/c1-19-12(18)10(16)5-15-6-14-9-3-2-7(13)4-8(9)11(15)17/h2-4,6,10,16H,5H2,1H3
InChIKeyAMYKJJFIZZXJFW-UHFFFAOYSA-N
XLogP0.69
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-bromo-3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
CID 113219612
methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2,2-difluoropropanoate
CID 148961008
2-[(6-bromo-4-oxoquinazolin-3-yl)methyl]butanoic acid
CID 155622567
6-bromo-3-[2-(4-fluorophenyl)-2-hydroxyethyl]quinazolin-4-one
CID 51338339
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one
CID 17463770
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzoate
CID 24562574
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
CID 51331711

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate (CID 146973825) is methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate is COC(=O)C(O)Cn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate?
The InChIKey is AMYKJJFIZZXJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4/c1-19-12(18)10(16)5-15-6-14-9-3-2-7(13)4-8(9)11(15)17/h2-4,6,10,16H,5H2,1H3.
What are the key properties of methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate?
methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate has a molecular weight of 327.13 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate is sourced from PubChem (CID 146973825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).