2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide

C19H17BrClN3O3 — CID 118917450

IUPAC2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(O)n1c(-c2cccc(Cl)c2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C19H17BrClN3O3/c1-10(2)22-17(25)19(27)24-16(11-4-3-5-13(21)8-11)23-15-7-6-12(20)9-14(15)18(24)26/h3-10,19,27H,1-2H3,(H,22,25)
InChIKeyZOGIXMZYUYGANY-UHFFFAOYSA-N
MW450.72 g/mol
LogP3.49
Rot. Bonds4

About 2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide

2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide (PubChem CID 118917450) has the molecular formula C19H17BrClN3O3 and a molecular weight of 450.72 g/mol. Its IUPAC name is 2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide
PubChem CID118917450
Molecular FormulaC19H17BrClN3O3
Molecular Weight450.72 g/mol
Exact Mass449.01
IUPAC Name2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(O)n1c(-c2cccc(Cl)c2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C19H17BrClN3O3/c1-10(2)22-17(25)19(27)24-16(11-4-3-5-13(21)8-11)23-15-7-6-12(20)9-14(15)18(24)26/h3-10,19,27H,1-2H3,(H,22,25)
InChIKeyZOGIXMZYUYGANY-UHFFFAOYSA-N
XLogP3.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.72
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
2-[2-(3-chlorophenyl)-6-[3-(methylsulfonyloxymethyl)cyclobutyl]-4-oxoquinazolin-3-yl]propanoic acid
CID 118917454
2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 67417723
4-[[6-bromo-2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 122551211
methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate
CID 100654815
2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide
CID 118915232
2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide
CID 90370428
6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline
CID 90101624
2-[2-(3-chlorophenyl)-6-[3-(2-methylpyrrolidin-1-yl)propoxy]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68688604
2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142151
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915206

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide (CID 118917450) is 2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide is CC(C)NC(=O)C(O)n1c(-c2cccc(Cl)c2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide?
The InChIKey is ZOGIXMZYUYGANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O3/c1-10(2)22-17(25)19(27)24-16(11-4-3-5-13(21)8-11)23-15-7-6-12(20)9-14(15)18(24)26/h3-10,19,27H,1-2H3,(H,22,25).
What are the key properties of 2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide?
2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide has a molecular weight of 450.72 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide is sourced from PubChem (CID 118917450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).