3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione

C20H21BrN2O4 — CID 118499634

IUPAC3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(Cc3ccc(Br)cc3)c(=O)n(C(C)C)c2cc1OC
InChIInChI=1S/C20H21BrN2O4/c1-12(2)23-16-10-18(27-4)17(26-3)9-15(16)19(24)22(20(23)25)11-13-5-7-14(21)8-6-13/h5-10,12H,11H2,1-4H3
InChIKeyUXSNBXTUWNMAGR-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.57
Rot. Bonds5

About 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione

3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione (PubChem CID 118499634) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione
PubChem CID118499634
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Name3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(Cc3ccc(Br)cc3)c(=O)n(C(C)C)c2cc1OC
InChIInChI=1S/C20H21BrN2O4/c1-12(2)23-16-10-18(27-4)17(26-3)9-15(16)19(24)22(20(23)25)11-13-5-7-14(21)8-6-13/h5-10,12H,11H2,1-4H3
InChIKeyUXSNBXTUWNMAGR-UHFFFAOYSA-N
XLogP3.57
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromophenyl)methyl]-6-(difluoromethoxy)-7-fluoro-1-methylquinazoline-2,4-dione
CID 118499661
2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099
4-[[1-[2-(butan-2-ylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 50793306
6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione
CID 178020558
N-butan-2-yl-4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]methyl]benzamide
CID 50793368
3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione
CID 118498750
3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione
CID 53370466
3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione
CID 57069441
N-[(2R)-butan-2-yl]-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazolin-1-yl]acetamide
CID 95050239
N-[(2S)-butan-2-yl]-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazolin-1-yl]acetamide
CID 95050240
4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793236
1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione
CID 22423597

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione (CID 118499634) is 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione is COc1cc2c(=O)n(Cc3ccc(Br)cc3)c(=O)n(C(C)C)c2cc1OC.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione?
The InChIKey is UXSNBXTUWNMAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-12(2)23-16-10-18(27-4)17(26-3)9-15(16)19(24)22(20(23)25)11-13-5-7-14(21)8-6-13/h5-10,12H,11H2,1-4H3.
What are the key properties of 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione?
3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione has a molecular weight of 433.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione is sourced from PubChem (CID 118499634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).