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

C19H18ClN5O — CID 51224894

IUPAC1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCn1c(=O)c2ccccc2n2c(CNc3ccc(C)cc3Cl)nnc12
InChIInChI=1S/C19H18ClN5O/c1-3-24-18(26)13-6-4-5-7-16(13)25-17(22-23-19(24)25)11-21-15-9-8-12(2)10-14(15)20/h4-10,21H,3,11H2,1-2H3
InChIKeyHSKLKBGUODCZCB-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.64
Rot. Bonds4

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

1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 51224894) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID51224894
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCn1c(=O)c2ccccc2n2c(CNc3ccc(C)cc3Cl)nnc12
InChIInChI=1S/C19H18ClN5O/c1-3-24-18(26)13-6-4-5-7-16(13)25-17(22-23-19(24)25)11-21-15-9-8-12(2)10-14(15)20/h4-10,21H,3,11H2,1-2H3
InChIKeyHSKLKBGUODCZCB-UHFFFAOYSA-N
XLogP3.64
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

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Related Compounds

4-ethyl-1-[(2-fluoroanilino)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 51224826
4-ethyl-1-[(2-methyl-5-methylsulfonylanilino)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 25349318
3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide
CID 60537304
4-ethyl-1-[[2-fluoro-5-(tetrazol-1-yl)anilino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 56514011
2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide
CID 38773091
1-[[2-[[cyclohexyl(methyl)amino]methyl]anilino]methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 46571879
1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 30088915
1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 39975394
N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 34062207
2-[3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]pyrazol-1-yl]-5-fluorobenzonitrile
CID 167836412
1-[(2,3-dimethylphenoxy)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 38773071
N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 20927463

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 51224894) is 1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCn1c(=O)c2ccccc2n2c(CNc3ccc(C)cc3Cl)nnc12.
What is the InChIKey of 1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is HSKLKBGUODCZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-3-24-18(26)13-6-4-5-7-16(13)25-17(22-23-19(24)25)11-21-15-9-8-12(2)10-14(15)20/h4-10,21H,3,11H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 367.84 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 51224894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).