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

C18H14BrN3O2 — CID 2941849

IUPAC2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one
SMILESCn1c(CC2C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O
InChIInChI=1S/C18H14BrN3O2/c1-22-16(20-14-5-3-2-4-11(14)18(22)24)9-13-12-8-10(19)6-7-15(12)21-17(13)23/h2-8,13H,9H2,1H3,(H,21,23)
InChIKeyARPYLDZNAMLANX-UHFFFAOYSA-N
MW384.23 g/mol
LogP2.97
Rot. Bonds2

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

2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one (PubChem CID 2941849) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one
PubChem CID2941849
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one
SMILESCn1c(CC2C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O
InChIInChI=1S/C18H14BrN3O2/c1-22-16(20-14-5-3-2-4-11(14)18(22)24)9-13-12-8-10(19)6-7-15(12)21-17(13)23/h2-8,13H,9H2,1H3,(H,21,23)
InChIKeyARPYLDZNAMLANX-UHFFFAOYSA-N
XLogP2.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(3-bromophenyl)ethenyl]-3-methylquinazolin-4-one
CID 5374970
3-(4-Bromophenyl)-2-methyl-3,4-dihydroquinazolin-4-one
CID 63377
2-[(2-Oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one
CID 4519951
3-Methyl-2-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylmethyl)-3H-quinazolin-4-one
CID 3132854
3-Ethyl-2-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-3H-quinazolin-4-one
CID 135424992
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-1H-quinazolin-4-one
CID 135517023
8-Bromoindolo[2,1-b]quinazoline-6,12-dione
CID 478572
2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-3H-quinazolin-4-one
CID 136240092
4(3H)-Quinazolinone, 6-bromo-2-methyl-3-phenyl-
CID 63729
6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]-4(3H)-quinazolinone
CID 1270364
N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 2608748
2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
CID 2862988

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one (CID 2941849) is 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one is Cn1c(CC2C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O.
What is the InChIKey of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one?
The InChIKey is ARPYLDZNAMLANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c1-22-16(20-14-5-3-2-4-11(14)18(22)24)9-13-12-8-10(19)6-7-15(12)21-17(13)23/h2-8,13H,9H2,1H3,(H,21,23).
What are the key properties of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one?
2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one has a molecular weight of 384.23 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 2941849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).