N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C20H15BrN4O2S — CID 16611468

IUPACN-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(Cn2cnc3ccc(Br)cc3c2=O)cs1
InChIInChI=1S/C20H15BrN4O2S/c1-13(26)25(16-5-3-2-4-6-16)20-23-15(11-28-20)10-24-12-22-18-8-7-14(21)9-17(18)19(24)27/h2-9,11-12H,10H2,1H3
InChIKeyAZPVYXJLSYRUFH-UHFFFAOYSA-N
MW455.34 g/mol
LogP4.35
Rot. Bonds4

About N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 16611468) has the molecular formula C20H15BrN4O2S and a molecular weight of 455.34 g/mol. Its IUPAC name is N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID16611468
Molecular FormulaC20H15BrN4O2S
Molecular Weight455.34 g/mol
Exact Mass454.01
IUPAC NameN-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(Cn2cnc3ccc(Br)cc3c2=O)cs1
InChIInChI=1S/C20H15BrN4O2S/c1-13(26)25(16-5-3-2-4-6-16)20-23-15(11-28-20)10-24-12-22-18-8-7-14(21)9-17(18)19(24)27/h2-9,11-12H,10H2,1H3
InChIKeyAZPVYXJLSYRUFH-UHFFFAOYSA-N
XLogP4.35
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617001
N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16612149
6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
CID 25307974
N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38858279
N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 43058273
6-bromo-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 7488391
N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38966923
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38861852
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39013506
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 16611468) is N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(Cn2cnc3ccc(Br)cc3c2=O)cs1.
What is the InChIKey of N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is AZPVYXJLSYRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O2S/c1-13(26)25(16-5-3-2-4-6-16)20-23-15(11-28-20)10-24-12-22-18-8-7-14(21)9-17(18)19(24)27/h2-9,11-12H,10H2,1H3.
What are the key properties of N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 455.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 16611468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).