3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione

C18H17BrN2O4 — CID 118498750

IUPAC3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione
SMILESCOc1ccc(OC)c2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C
InChIInChI=1S/C18H17BrN2O4/c1-20-16-14(25-3)9-8-13(24-2)15(16)17(22)21(18(20)23)10-11-4-6-12(19)7-5-11/h4-9H,10H2,1-3H3
InChIKeyVCAGSRYEJCQKNH-UHFFFAOYSA-N
MW405.25 g/mol
LogP2.53
Rot. Bonds4

About 3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione

3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione (PubChem CID 118498750) has the molecular formula C18H17BrN2O4 and a molecular weight of 405.25 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione
PubChem CID118498750
Molecular FormulaC18H17BrN2O4
Molecular Weight405.25 g/mol
Exact Mass404.04
IUPAC Name3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione
SMILESCOc1ccc(OC)c2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C
InChIInChI=1S/C18H17BrN2O4/c1-20-16-14(25-3)9-8-13(24-2)15(16)17(22)21(18(20)23)10-11-4-6-12(19)7-5-11/h4-9H,10H2,1-3H3
InChIKeyVCAGSRYEJCQKNH-UHFFFAOYSA-N
XLogP2.53
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione
CID 118499634
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(4-methylphenoxy)purine-2,6-dione
CID 3849985
2-[(4-bromophenyl)methyl]-6-(4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 44893747
3-[(4-bromophenyl)methyl]-6-(difluoromethoxy)-7-fluoro-1-methylquinazoline-2,4-dione
CID 118499661
7-[(4-bromophenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione
CID 598171
3-[(4-bromophenyl)methyl]-1-ethyl-5-iodopyrimidine-2,4-dione
CID 79787597
2-[(4-bromophenyl)methyl]-4,7,8-trimethylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 4893378
5-bromo-8-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 168877714
2-[(4-bromophenyl)methyl]-6-(2-chloroethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 44903765
3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262276
3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione
CID 118467517
3-[(4-bromophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione
CID 10139366

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione (CID 118498750) is 3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione is COc1ccc(OC)c2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione?
The InChIKey is VCAGSRYEJCQKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O4/c1-20-16-14(25-3)9-8-13(24-2)15(16)17(22)21(18(20)23)10-11-4-6-12(19)7-5-11/h4-9H,10H2,1-3H3.
What are the key properties of 3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione?
3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione has a molecular weight of 405.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 118498750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).