2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one

C23H16BrN3O2 — CID 1127147

IUPAC2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one
SMILESO=C1Nc2ccc(Br)cc2[C@H]1Cc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H16BrN3O2/c24-14-10-11-20-17(12-14)18(22(28)26-20)13-21-25-19-9-5-4-8-16(19)23(29)27(21)15-6-2-1-3-7-15/h1-12,18H,13H2,(H,26,28)/t18-/m1/s1
InChIKeyDHTZFHXHQSBJBT-GOSISDBHSA-N
MW446.30 g/mol
LogP4.43
Rot. Bonds3

About 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one

2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one (PubChem CID 1127147) has the molecular formula C23H16BrN3O2 and a molecular weight of 446.30 g/mol. Its IUPAC name is 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one
PubChem CID1127147
Molecular FormulaC23H16BrN3O2
Molecular Weight446.30 g/mol
Exact Mass445.04
IUPAC Name2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one
SMILESO=C1Nc2ccc(Br)cc2[C@H]1Cc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H16BrN3O2/c24-14-10-11-20-17(12-14)18(22(28)26-20)13-21-25-19-9-5-4-8-16(19)23(29)27(21)15-6-2-1-3-7-15/h1-12,18H,13H2,(H,26,28)/t18-/m1/s1
InChIKeyDHTZFHXHQSBJBT-GOSISDBHSA-N
XLogP4.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one with MolForge

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Related Compounds

3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one
CID 23606635
2-[[(3R)-5-bromo-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 40966610
2-[[(3S)-5-bromo-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 98215350
2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
CID 2862988
3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one
CID 7385500
2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one
CID 27245194
3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
2-ethyl-3-phenylquinazolin-4-one
CID 719985
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-[[(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-propan-2-yl-3H-indol-3-yl]methyl]-3-ethylquinazolin-4-one
CID 98221961

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one (CID 1127147) is 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one is O=C1Nc2ccc(Br)cc2[C@H]1Cc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one?
The InChIKey is DHTZFHXHQSBJBT-GOSISDBHSA-N. The full InChI is InChI=1S/C23H16BrN3O2/c24-14-10-11-20-17(12-14)18(22(28)26-20)13-21-25-19-9-5-4-8-16(19)23(29)27(21)15-6-2-1-3-7-15/h1-12,18H,13H2,(H,26,28)/t18-/m1/s1.
What are the key properties of 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one?
2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one has a molecular weight of 446.30 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 1127147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).