2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

C19H17ClN4O2 — CID 53058788

IUPAC2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
SMILESCCCn1c(=O)c2ccc(Cl)cc2n2c(=O)n(Cc3ccccc3)nc12
InChIInChI=1S/C19H17ClN4O2/c1-2-10-22-17(25)15-9-8-14(20)11-16(15)24-18(22)21-23(19(24)26)12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3
InChIKeyKMDHVRFYNNILDX-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.92
Rot. Bonds4

About 2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione (PubChem CID 53058788) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione.

Molecular Properties

Compound Name2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
PubChem CID53058788
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
SMILESCCCn1c(=O)c2ccc(Cl)cc2n2c(=O)n(Cc3ccccc3)nc12
InChIInChI=1S/C19H17ClN4O2/c1-2-10-22-17(25)15-9-8-14(20)11-16(15)24-18(22)21-23(19(24)26)12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3
InChIKeyKMDHVRFYNNILDX-UHFFFAOYSA-N
XLogP2.92
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)methyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
CID 53058615
2-benzyl-N-(2-methylpropyl)-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774890
11-[(3-chlorophenyl)methyl]-8-propyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-triene-7,12-dione
CID 53074346
2-(8-chloro-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide
CID 50768991
2-(8-chloro-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-(3,5-dimethylphenyl)acetamide
CID 50769029
8-chloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
CID 53005193
4-benzyl-2-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775311
4-benzyl-2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775332
3-[2-[(4-chlorophenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-propan-2-ylpropanamide
CID 50836818
N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl]-4-(3-methylbutyl)-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 95053979
N-(5-chloro-2-methylphenyl)-2-[1,5-dioxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]acetamide
CID 50769067
N-[(2S)-butan-2-yl]-2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 92766486

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione?
The IUPAC name of 2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione (CID 53058788) is 2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione.
What is the SMILES notation for 2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione?
The canonical SMILES for 2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione is CCCn1c(=O)c2ccc(Cl)cc2n2c(=O)n(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione?
The InChIKey is KMDHVRFYNNILDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-2-10-22-17(25)15-9-8-14(20)11-16(15)24-18(22)21-23(19(24)26)12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3.
What are the key properties of 2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione?
2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione has a molecular weight of 368.82 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione is sourced from PubChem (CID 53058788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).