2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide

C24H24BrN5O2 — CID 126326689

IUPAC2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide
SMILESCC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(N)=O)c2ccccc12
InChIInChI=1S/C24H24BrN5O2/c1-4-14(2)23-28-20-10-9-16(25)11-18(20)24(32)30(23)27-12-19-15(3)29(13-22(26)31)21-8-6-5-7-17(19)21/h5-12,14H,4,13H2,1-3H3,(H2,26,31)/t14-/m1/s1
InChIKeyBSRYCFCNCOFPPY-CQSZACIVSA-N
MW494.39 g/mol
LogP4.30
Rot. Bonds6

About 2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide

2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide (PubChem CID 126326689) has the molecular formula C24H24BrN5O2 and a molecular weight of 494.39 g/mol. Its IUPAC name is 2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide
PubChem CID126326689
Molecular FormulaC24H24BrN5O2
Molecular Weight494.39 g/mol
Exact Mass493.11
IUPAC Name2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide
SMILESCC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(N)=O)c2ccccc12
InChIInChI=1S/C24H24BrN5O2/c1-4-14(2)23-28-20-10-9-16(25)11-18(20)24(32)30(23)27-12-19-15(3)29(13-22(26)31)21-8-6-5-7-17(19)21/h5-12,14H,4,13H2,1-3H3,(H2,26,31)/t14-/m1/s1
InChIKeyBSRYCFCNCOFPPY-CQSZACIVSA-N
XLogP4.30
TPSA95.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[6-bromo-2-[(2S)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]-N-(2-methylphenyl)acetamide
CID 126325111
6-bromo-2-[(2S)-butan-2-yl]-3-[[1-(2,2-dimethylpropyl)-2-methylindol-3-yl]methylideneamino]quinazolin-4-one
CID 126338250
6-bromo-2-[(2R)-butan-2-yl]-3-[[1-(2,2-dimethylpropyl)-2-methylindol-3-yl]methylideneamino]quinazolin-4-one
CID 126338255
6-bromo-2-[(2R)-butan-2-yl]-3-[[2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]quinazolin-4-one
CID 126328490
6-bromo-2-[(2R)-butan-2-yl]-3-[[1-[(2R)-butan-2-yl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one
CID 126324586
2-[3-[(6-bromo-4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetonitrile
CID 126314886
ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate
CID 126295526
6-bromo-3-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126299561
2-[3-[(6-bromo-4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]-N-(4-chlorophenyl)acetamide
CID 126288643
6-bromo-3-[[1-[(2R)-butan-2-yl]-2-methylindol-3-yl]methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126312043
ethyl (2S)-2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]indol-1-yl]propanoate
CID 126318348
ethyl (2R)-2-[1-[[6-bromo-2-[(2S)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]naphthalen-2-yl]oxypropanoate
CID 126332204

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide?
The IUPAC name of 2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide (CID 126326689) is 2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide is CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(N)=O)c2ccccc12.
What is the InChIKey of 2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide?
The InChIKey is BSRYCFCNCOFPPY-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24BrN5O2/c1-4-14(2)23-28-20-10-9-16(25)11-18(20)24(32)30(23)27-12-19-15(3)29(13-22(26)31)21-8-6-5-7-17(19)21/h5-12,14H,4,13H2,1-3H3,(H2,26,31)/t14-/m1/s1.
What are the key properties of 2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide?
2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide has a molecular weight of 494.39 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide is sourced from PubChem (CID 126326689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).