7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C23H22BrN5O — CID 10205071

IUPAC7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESO=c1c2cc(Br)ccc2n2c(N3CCCCC3)nnc2n1C/C=C/c1ccccc1
InChIInChI=1S/C23H22BrN5O/c24-18-11-12-20-19(16-18)21(30)28(15-7-10-17-8-3-1-4-9-17)23-26-25-22(29(20)23)27-13-5-2-6-14-27/h1,3-4,7-12,16H,2,5-6,13-15H2/b10-7+
InChIKeyZEVCKBVCXNWZFY-JXMROGBWSA-N
MW464.37 g/mol
LogP4.51
Rot. Bonds4

About 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 10205071) has the molecular formula C23H22BrN5O and a molecular weight of 464.37 g/mol. Its IUPAC name is 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID10205071
Molecular FormulaC23H22BrN5O
Molecular Weight464.37 g/mol
Exact Mass463.10
IUPAC Name7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESO=c1c2cc(Br)ccc2n2c(N3CCCCC3)nnc2n1C/C=C/c1ccccc1
InChIInChI=1S/C23H22BrN5O/c24-18-11-12-20-19(16-18)21(30)28(15-7-10-17-8-3-1-4-9-17)23-26-25-22(29(20)23)27-13-5-2-6-14-27/h1,3-4,7-12,16H,2,5-6,13-15H2/b10-7+
InChIKeyZEVCKBVCXNWZFY-JXMROGBWSA-N
XLogP4.51
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-Dihydro-2H-quinolin-1-yl)-2-oxo-ethylsulfanyl]-4-ethyl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 649447
4-phenyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2363388
1-(4-bromophenyl)-4-isobutyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
CID 16017284
4-(2-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
CID 2354700
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2415654
4-Benzyl-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 16730341
1-Methylsulfanyl-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 162661923
1-Amino-7-fluoro-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 162669147
7-Fluoro-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 162674902
4-(4-Bromophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 12435482
4-Benzyl-1-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 15583215
1-[(2-Bromoanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17509265

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 10205071) is 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is O=c1c2cc(Br)ccc2n2c(N3CCCCC3)nnc2n1C/C=C/c1ccccc1.
What is the InChIKey of 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is ZEVCKBVCXNWZFY-JXMROGBWSA-N. The full InChI is InChI=1S/C23H22BrN5O/c24-18-11-12-20-19(16-18)21(30)28(15-7-10-17-8-3-1-4-9-17)23-26-25-22(29(20)23)27-13-5-2-6-14-27/h1,3-4,7-12,16H,2,5-6,13-15H2/b10-7+.
What are the key properties of 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 464.37 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-[(E)-3-phenylprop-2-enyl]-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 10205071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).