3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide

C25H22BrN3O3 — CID 55675001

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C25H22BrN3O3/c26-19-10-11-21-20(16-19)25(31)29(17-27-21)14-12-24(30)28-22-8-4-5-9-23(22)32-15-13-18-6-2-1-3-7-18/h1-11,16-17H,12-15H2,(H,28,30)
InChIKeyGIVBKJLTNVOMIK-UHFFFAOYSA-N
MW492.37 g/mol
LogP4.81
Rot. Bonds8

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide (PubChem CID 55675001) has the molecular formula C25H22BrN3O3 and a molecular weight of 492.37 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide
PubChem CID55675001
Molecular FormulaC25H22BrN3O3
Molecular Weight492.37 g/mol
Exact Mass491.08
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C25H22BrN3O3/c26-19-10-11-21-20(16-19)25(31)29(17-27-21)14-12-24(30)28-22-8-4-5-9-23(22)32-15-13-18-6-2-1-3-7-18/h1-11,16-17H,12-15H2,(H,28,30)
InChIKeyGIVBKJLTNVOMIK-UHFFFAOYSA-N
XLogP4.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
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3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
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3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
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3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 55908017
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CID 34745509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide (CID 55675001) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide is O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccccc1OCCc1ccccc1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide?
The InChIKey is GIVBKJLTNVOMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN3O3/c26-19-10-11-21-20(16-19)25(31)29(17-27-21)14-12-24(30)28-22-8-4-5-9-23(22)32-15-13-18-6-2-1-3-7-18/h1-11,16-17H,12-15H2,(H,28,30).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide has a molecular weight of 492.37 g/mol, XLogP of 4.81, 8 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-(2-phenylethoxy)phenyl]propanamide is sourced from PubChem (CID 55675001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).