1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione

C26H23BrN2O5 — CID 22423597

IUPAC1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(CCc3ccccc3)c(=O)n(CC(=O)c3ccc(Br)cc3)c2cc1OC
InChIInChI=1S/C26H23BrN2O5/c1-33-23-14-20-21(15-24(23)34-2)29(16-22(30)18-8-10-19(27)11-9-18)26(32)28(25(20)31)13-12-17-6-4-3-5-7-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyUYCBBTYRYOGDLT-UHFFFAOYSA-N
MW523.38 g/mol
LogP4.07
Rot. Bonds8

About 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione

1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione (PubChem CID 22423597) has the molecular formula C26H23BrN2O5 and a molecular weight of 523.38 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione
PubChem CID22423597
Molecular FormulaC26H23BrN2O5
Molecular Weight523.38 g/mol
Exact Mass522.08
IUPAC Name1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(CCc3ccccc3)c(=O)n(CC(=O)c3ccc(Br)cc3)c2cc1OC
InChIInChI=1S/C26H23BrN2O5/c1-33-23-14-20-21(15-24(23)34-2)29(16-22(30)18-8-10-19(27)11-9-18)26(32)28(25(20)31)13-12-17-6-4-3-5-7-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyUYCBBTYRYOGDLT-UHFFFAOYSA-N
XLogP4.07
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione with MolForge

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Related Compounds

6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione
CID 15992644
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 22423596
2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099
1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 1040501
1-[2-(3-bromophenyl)-2-oxoethyl]-3-cyclopentyl-6,7-dimethoxyquinazoline-2,4-dione
CID 15999351
3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 53368485
3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione
CID 53370466
4-[(1-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 50793484
N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 15998450
4-[[3-[2-(3-chloro-4-methoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151340752
4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
CID 50793351

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione?
The IUPAC name of 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione (CID 22423597) is 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione is COc1cc2c(=O)n(CCc3ccccc3)c(=O)n(CC(=O)c3ccc(Br)cc3)c2cc1OC.
What is the InChIKey of 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione?
The InChIKey is UYCBBTYRYOGDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2O5/c1-33-23-14-20-21(15-24(23)34-2)29(16-22(30)18-8-10-19(27)11-9-18)26(32)28(25(20)31)13-12-17-6-4-3-5-7-17/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione?
1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione has a molecular weight of 523.38 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 22423597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).