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

C23H17BrF2N2O3 — CID 178020558

IUPAC6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3cc(Br)ccc3n(Cc3ccc(F)c(F)c3)c2=O)cc1
InChIInChI=1S/C23H17BrF2N2O3/c1-31-17-6-2-14(3-7-17)12-28-22(29)18-11-16(24)5-9-21(18)27(23(28)30)13-15-4-8-19(25)20(26)10-15/h2-11H,12-13H2,1H3
InChIKeyRJWOZWHACAGKLJ-UHFFFAOYSA-N
MW487.30 g/mol
LogP4.31
Rot. Bonds5

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

6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione (PubChem CID 178020558) has the molecular formula C23H17BrF2N2O3 and a molecular weight of 487.30 g/mol. Its IUPAC name is 6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione
PubChem CID178020558
Molecular FormulaC23H17BrF2N2O3
Molecular Weight487.30 g/mol
Exact Mass486.04
IUPAC Name6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3cc(Br)ccc3n(Cc3ccc(F)c(F)c3)c2=O)cc1
InChIInChI=1S/C23H17BrF2N2O3/c1-31-17-6-2-14(3-7-17)12-28-22(29)18-11-16(24)5-9-21(18)27(23(28)30)13-15-4-8-19(25)20(26)10-15/h2-11H,12-13H2,1H3
InChIKeyRJWOZWHACAGKLJ-UHFFFAOYSA-N
XLogP4.31
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione with MolForge

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Related Compounds

3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione
CID 118499634
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
2-[7-chloro-6-fluoro-3-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 118499227
6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 17190267
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
3-[(4-bromophenyl)methyl]-6-(difluoromethoxy)-7-fluoro-1-methylquinazoline-2,4-dione
CID 118499661
7,8-difluoro-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 118498697
1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
methyl 4-[[1-ethyl-6-[(4-methoxyphenyl)methylcarbamoyl]-2,4-dioxoquinazolin-3-yl]methyl]benzoate
CID 70147886
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
6-bromo-3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione
CID 66502730
8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 176864839

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione (CID 178020558) is 6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione is COc1ccc(Cn2c(=O)c3cc(Br)ccc3n(Cc3ccc(F)c(F)c3)c2=O)cc1.
What is the InChIKey of 6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione?
The InChIKey is RJWOZWHACAGKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrF2N2O3/c1-31-17-6-2-14(3-7-17)12-28-22(29)18-11-16(24)5-9-21(18)27(23(28)30)13-15-4-8-19(25)20(26)10-15/h2-11H,12-13H2,1H3.
What are the key properties of 6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione?
6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione has a molecular weight of 487.30 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(3,4-difluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 178020558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).