3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

C29H25ClN6O2 — CID 18559346

IUPAC3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H25ClN6O2/c30-23-10-4-1-7-20(23)18-35-28(38)22-9-3-6-12-25(22)36-26(33-34-29(35)36)13-14-27(37)31-16-15-19-17-32-24-11-5-2-8-21(19)24/h1-12,17,32H,13-16,18H2,(H,31,37)
InChIKeyLQRNOZRIMWDBLT-UHFFFAOYSA-N
MW525.01 g/mol
LogP4.52
Rot. Bonds8

About 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 18559346) has the molecular formula C29H25ClN6O2 and a molecular weight of 525.01 g/mol. Its IUPAC name is 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID18559346
Molecular FormulaC29H25ClN6O2
Molecular Weight525.01 g/mol
Exact Mass524.17
IUPAC Name3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H25ClN6O2/c30-23-10-4-1-7-20(23)18-35-28(38)22-9-3-6-12-25(22)36-26(33-34-29(35)36)13-14-27(37)31-16-15-19-17-32-24-11-5-2-8-21(19)24/h1-12,17,32H,13-16,18H2,(H,31,37)
InChIKeyLQRNOZRIMWDBLT-UHFFFAOYSA-N
XLogP4.52
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.01
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide 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-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide
CID 168007913
3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1H-quinazoline-2,4-dione
CID 10973768
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 78357763
(7S)-7-[[2-chloro-4-(1,2,4-triazol-4-yl)benzoyl]amino]-2-methyl-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole-10-carboxamide
CID 122194032
CID 165437244
CID 165437244
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1R)-1-phenylethyl]indole-3-carboxamide
CID 169551954
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551958
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551959
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]indole-3-carboxamide
CID 169551972
3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-fluorophenyl)propanamide
CID 16010721
3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-phenylpropanamide
CID 16010723
N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 16799263

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 18559346) is 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is LQRNOZRIMWDBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN6O2/c30-23-10-4-1-7-20(23)18-35-28(38)22-9-3-6-12-25(22)36-26(33-34-29(35)36)13-14-27(37)31-16-15-19-17-32-24-11-5-2-8-21(19)24/h1-12,17,32H,13-16,18H2,(H,31,37).
What are the key properties of 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 525.01 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 18559346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).