4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C23H21N5O — CID 78818356

IUPAC4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCn1c(=O)c2ccccc2n2c(CN(C)c3ccc4ccccc4c3)nnc12
InChIInChI=1S/C23H21N5O/c1-3-27-22(29)19-10-6-7-11-20(19)28-21(24-25-23(27)28)15-26(2)18-13-12-16-8-4-5-9-17(16)14-18/h4-14H,3,15H2,1-2H3
InChIKeyXYXRNSGTKOVMDY-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.85
Rot. Bonds4

About 4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 78818356) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID78818356
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCn1c(=O)c2ccccc2n2c(CN(C)c3ccc4ccccc4c3)nnc12
InChIInChI=1S/C23H21N5O/c1-3-27-22(29)19-10-6-7-11-20(19)28-21(24-25-23(27)28)15-26(2)18-13-12-16-8-4-5-9-17(16)14-18/h4-14H,3,15H2,1-2H3
InChIKeyXYXRNSGTKOVMDY-UHFFFAOYSA-N
XLogP3.85
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 34062207
4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 38773044
4-ethyl-1-[(2-fluoroanilino)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 51224826
1-[[2-[[cyclohexyl(methyl)amino]methyl]anilino]methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 46571879
1-[(3-acetylphenoxy)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 34061650
1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 34061078
1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 51224894
N-[4-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]phenyl]acetamide
CID 36562613
1-[(2,3-dimethylphenoxy)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 38773071
4-ethyl-1-[(2-methyl-5-methylsulfonylanilino)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 25349318
N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-2-methyl-2-phenylpropanamide
CID 56539727
1-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 120775237

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 78818356) is 4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCn1c(=O)c2ccccc2n2c(CN(C)c3ccc4ccccc4c3)nnc12.
What is the InChIKey of 4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is XYXRNSGTKOVMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-3-27-22(29)19-10-6-7-11-20(19)28-21(24-25-23(27)28)15-26(2)18-13-12-16-8-4-5-9-17(16)14-18/h4-14H,3,15H2,1-2H3.
What are the key properties of 4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 383.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 78818356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).