3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione

C18H18BrN3O2 — CID 177030637

IUPAC3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione
SMILESCN(C)c1ccc2c(c1)c(=O)n(Cc1cccc(Br)c1)c(=O)n2C
InChIInChI=1S/C18H18BrN3O2/c1-20(2)14-7-8-16-15(10-14)17(23)22(18(24)21(16)3)11-12-5-4-6-13(19)9-12/h4-10H,11H2,1-3H3
InChIKeyVHTQVZYQRBSULA-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.58
Rot. Bonds3

About 3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione

3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione (PubChem CID 177030637) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione
PubChem CID177030637
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione
SMILESCN(C)c1ccc2c(c1)c(=O)n(Cc1cccc(Br)c1)c(=O)n2C
InChIInChI=1S/C18H18BrN3O2/c1-20(2)14-7-8-16-15(10-14)17(23)22(18(24)21(16)3)11-12-5-4-6-13(19)9-12/h4-10H,11H2,1-3H3
InChIKeyVHTQVZYQRBSULA-UHFFFAOYSA-N
XLogP2.58
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylamino)-1-methyl-3-[(3-methylphenyl)methyl]quinazoline-2,4-dione;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 177030625
6-(dimethylamino)-1-methyl-3-[(3-methylphenyl)methyl]quinazoline-2,4-dione;methyl 2-[(2,6-difluorobenzoyl)amino]acetate
CID 177030288
tert-butyl N-(2-cyclobutylidene-2-methoxyethyl)carbamate;6-(dimethylamino)-1-methyl-3-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 177030348
3-[(3-fluorophenyl)methyl]-6-iodo-1-methylquinazoline-2,4-dione
CID 22281876
3-[(4-bromophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione
CID 10139366
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
1-[(3-bromophenyl)methyl]-8-ethoxy-3,7-dimethylpurine-2,6-dione
CID 1107298
3-[(3-fluorophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione
CID 10250253
6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262431
6-[3-(3-bromophenyl)prop-1-ynyl]-3-[(3-fluorophenyl)methyl]-1-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 10227832
methyl 1-methyl-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-carboxylate
CID 174470959
7-[(3-bromophenyl)methyl]-8-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
CID 90403562

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione (CID 177030637) is 3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione is CN(C)c1ccc2c(c1)c(=O)n(Cc1cccc(Br)c1)c(=O)n2C.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione?
The InChIKey is VHTQVZYQRBSULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-20(2)14-7-8-16-15(10-14)17(23)22(18(24)21(16)3)11-12-5-4-6-13(19)9-12/h4-10H,11H2,1-3H3.
What are the key properties of 3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione?
3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione has a molecular weight of 388.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 177030637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).