3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide

C18H16BrN3O3 — CID 31301273

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H16BrN3O3/c1-25-16-5-3-2-4-15(16)21-17(23)8-9-22-11-20-14-7-6-12(19)10-13(14)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKeyOLEVJDKTPOCRIS-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.20
Rot. Bonds5

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 31301273) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID31301273
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H16BrN3O3/c1-25-16-5-3-2-4-15(16)21-17(23)8-9-22-11-20-14-7-6-12(19)10-13(14)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKeyOLEVJDKTPOCRIS-UHFFFAOYSA-N
XLogP3.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 24622378
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylphenyl)propanamide
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CID 30884886
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 55908017
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide (CID 31301273) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is OLEVJDKTPOCRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-25-16-5-3-2-4-15(16)21-17(23)8-9-22-11-20-14-7-6-12(19)10-13(14)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 402.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 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-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 31301273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).