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

C19H19N5O — CID 17460472

IUPAC1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1
InChIInChI=1S/C19H19N5O/c1-3-13-8-10-14(11-9-13)20-12-17-21-22-19-23(2)18(25)15-6-4-5-7-16(15)24(17)19/h4-11,20H,3,12H2,1-2H3
InChIKeyUBNPLMWCQUCTNN-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.76
Rot. Bonds4

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

1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 17460472) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID17460472
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1
InChIInChI=1S/C19H19N5O/c1-3-13-8-10-14(11-9-13)20-12-17-21-22-19-23(2)18(25)15-6-4-5-7-16(15)24(17)19/h4-11,20H,3,12H2,1-2H3
InChIKeyUBNPLMWCQUCTNN-UHFFFAOYSA-N
XLogP2.76
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]benzoate
CID 17447654
4-methyl-1-[[4-(trifluoromethoxy)anilino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 31418027
1-[[4-(difluoromethoxy)anilino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 36586115
1-[[3-(hydroxymethyl)anilino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 110879806
4-methyl-1-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 26640236
1-[[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42886138
4-methyl-1-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 26642740
N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide
CID 55511372
1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 94830242
4-methyl-1-[[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60542379
2-[2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]sulfanylacetamide
CID 51226896
1-[[benzyl(ethyl)amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 18087361

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 17460472) is 1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCc1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1.
What is the InChIKey of 1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is UBNPLMWCQUCTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-3-13-8-10-14(11-9-13)20-12-17-21-22-19-23(2)18(25)15-6-4-5-7-16(15)24(17)19/h4-11,20H,3,12H2,1-2H3.
What are the key properties of 1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 333.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 17460472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).