3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one

C25H20BrN3O2 — CID 23606635

IUPAC3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one
SMILESCCN1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C25H20BrN3O2/c1-2-28-22-10-6-4-7-18(22)20(24(28)30)15-23-27-21-9-5-3-8-19(21)25(31)29(23)17-13-11-16(26)12-14-17/h3-14,20H,2,15H2,1H3
InChIKeyOZADYCWDIIFQJW-UHFFFAOYSA-N
MW474.36 g/mol
LogP4.84
Rot. Bonds4

About 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one

3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one (PubChem CID 23606635) has the molecular formula C25H20BrN3O2 and a molecular weight of 474.36 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one
PubChem CID23606635
Molecular FormulaC25H20BrN3O2
Molecular Weight474.36 g/mol
Exact Mass473.07
IUPAC Name3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one
SMILESCCN1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C25H20BrN3O2/c1-2-28-22-10-6-4-7-18(22)20(24(28)30)15-23-27-21-9-5-3-8-19(21)25(31)29(23)17-13-11-16(26)12-14-17/h3-14,20H,2,15H2,1H3
InChIKeyOZADYCWDIIFQJW-UHFFFAOYSA-N
XLogP4.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one with MolForge

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Related Compounds

2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
CID 2862988
2-[(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-ethylquinazolin-4-one
CID 23606632
2-[[(3R)-5-bromo-1-ethyl-2-oxo-3H-indol-3-yl]methyl]-3-ethylquinazolin-4-one
CID 92716945
2-[[(3S)-5-bromo-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 98215350
2-[[(3R)-5-bromo-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 40966610
3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 711398
2-[(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 20895001
2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 51563740
2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one
CID 1127147
3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 98243178
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-ethyl-3-phenylquinazolin-4-one
CID 719985

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one (CID 23606635) is 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one is CCN1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one?
The InChIKey is OZADYCWDIIFQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O2/c1-2-28-22-10-6-4-7-18(22)20(24(28)30)15-23-27-21-9-5-3-8-19(21)25(31)29(23)17-13-11-16(26)12-14-17/h3-14,20H,2,15H2,1H3.
What are the key properties of 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one?
3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one has a molecular weight of 474.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 23606635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).