2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide

C17H14BrN3O2S — CID 7876762

IUPAC2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H14BrN3O2S/c1-19-15(22)10-24-17-20-14-8-7-11(18)9-13(14)16(23)21(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyZOABKICGHWIIAY-UHFFFAOYSA-N
MW404.29 g/mol
LogP2.99
Rot. Bonds4

About 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide

2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide (PubChem CID 7876762) has the molecular formula C17H14BrN3O2S and a molecular weight of 404.29 g/mol. Its IUPAC name is 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide
PubChem CID7876762
Molecular FormulaC17H14BrN3O2S
Molecular Weight404.29 g/mol
Exact Mass403.00
IUPAC Name2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H14BrN3O2S/c1-19-15(22)10-24-17-20-14-8-7-11(18)9-13(14)16(23)21(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyZOABKICGHWIIAY-UHFFFAOYSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2983129
6-bromo-2-(2-ethoxyethylsulfanyl)-3-phenylquinazolin-4-one
CID 7876774
6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one
CID 2222928
N-(3-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3745372
N-(2-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3675546
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-phenylethylideneamino)acetamide
CID 4508333
2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetamide
CID 71730589
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6133773
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 135630655
N-[(4-bromophenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5019256

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide (CID 7876762) is 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide is CNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide?
The InChIKey is ZOABKICGHWIIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2S/c1-19-15(22)10-24-17-20-14-8-7-11(18)9-13(14)16(23)21(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide?
2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide has a molecular weight of 404.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 7876762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).