4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C17H12Cl2N4O — CID 17091359

IUPAC4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(-c3ccc(Cl)cc3Cl)c(=O)c3ccccc3n12
InChIInChI=1S/C17H12Cl2N4O/c1-2-15-20-21-17-22(15)13-6-4-3-5-11(13)16(24)23(17)14-8-7-10(18)9-12(14)19/h3-9H,2H2,1H3
InChIKeyBTLZFKBUVZYEFI-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.90
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 17091359) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID17091359
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(-c3ccc(Cl)cc3Cl)c(=O)c3ccccc3n12
InChIInChI=1S/C17H12Cl2N4O/c1-2-15-20-21-17-22(15)13-6-4-3-5-11(13)16(24)23(17)14-8-7-10(18)9-12(14)19/h3-9H,2H2,1H3
InChIKeyBTLZFKBUVZYEFI-UHFFFAOYSA-N
XLogP3.90
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 12957684
1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091370
1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091365
4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091375
1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091379
1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 51224894
4-(2,3-dimethylphenyl)-1-ethylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 13057740
4-(2,5-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091325
1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 39975394
1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 94830242
3-amino-2-(2,4-dichlorophenyl)isoquinolin-1-one
CID 43341028
1-ethylsulfanyl-4-(2-methoxy-5-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4804883

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 17091359) is 4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCc1nnc2n(-c3ccc(Cl)cc3Cl)c(=O)c3ccccc3n12.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is BTLZFKBUVZYEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c1-2-15-20-21-17-22(15)13-6-4-3-5-11(13)16(24)23(17)14-8-7-10(18)9-12(14)19/h3-9H,2H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 359.22 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 17091359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).