8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione

C17H15BrN2O3 — CID 176864839

IUPAC8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3c(Br)cc(C)cc3c2=O)cc1
InChIInChI=1S/C17H15BrN2O3/c1-10-7-13-15(14(18)8-10)19-17(22)20(16(13)21)9-11-3-5-12(23-2)6-4-11/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeySFFQOHTVCSJPHL-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.82
Rot. Bonds3

About 8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione

8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione (PubChem CID 176864839) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
PubChem CID176864839
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3c(Br)cc(C)cc3c2=O)cc1
InChIInChI=1S/C17H15BrN2O3/c1-10-7-13-15(14(18)8-10)19-17(22)20(16(13)21)9-11-3-5-12(23-2)6-4-11/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeySFFQOHTVCSJPHL-UHFFFAOYSA-N
XLogP2.82
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione
CID 114588912
7,8-difluoro-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 118498697
6,8-bis(3-chloro-2-hydroxy-2-methylpropyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 118498783
4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 175994685
3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 45030945
9-[(4-methoxyphenyl)methyl]-2-methyl-8-oxo-7H-purine-6-carboxamide
CID 126468222
1,3-bis[(4-methoxyphenyl)methyl]-6-sulfanylidene-1,3,5-triazinane-2,4-dione
CID 88967852
4-bromo-3-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methylisoquinolin-1-one
CID 44574597
5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one
CID 134974772
3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
N-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4215323

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione (CID 176864839) is 8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione is COc1ccc(Cn2c(=O)[nH]c3c(Br)cc(C)cc3c2=O)cc1.
What is the InChIKey of 8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione?
The InChIKey is SFFQOHTVCSJPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-10-7-13-15(14(18)8-10)19-17(22)20(16(13)21)9-11-3-5-12(23-2)6-4-11/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of 8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione?
8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione has a molecular weight of 375.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 176864839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).