N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide

C16H18N4O4 — CID 35758935

IUPACN-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)NC1CCCC1
InChIInChI=1S/C16H18N4O4/c21-15(17-10-3-1-2-4-10)9-20-16(22)11-7-13-14(24-6-5-23-13)8-12(11)18-19-20/h7-8,10H,1-6,9H2,(H,17,21)
InChIKeyCCHLNSDHIBLIEN-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.62
Rot. Bonds3

About N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide

N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide (PubChem CID 35758935) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide
PubChem CID35758935
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)NC1CCCC1
InChIInChI=1S/C16H18N4O4/c21-15(17-10-3-1-2-4-10)9-20-16(22)11-7-13-14(24-6-5-23-13)8-12(11)18-19-20/h7-8,10H,1-6,9H2,(H,17,21)
InChIKeyCCHLNSDHIBLIEN-UHFFFAOYSA-N
XLogP0.62
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39890919
N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide
CID 20952339
N-(1-ethylpiperidin-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 36813609
N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide
CID 114692778
3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 4963609
N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7484104
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27856526
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24509431
N-cyclopentyl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide
CID 1175747
5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82202469
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55753896

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide (CID 35758935) is N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide is O=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide?
The InChIKey is CCHLNSDHIBLIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-15(17-10-3-1-2-4-10)9-20-16(22)11-7-13-14(24-6-5-23-13)8-12(11)18-19-20/h7-8,10H,1-6,9H2,(H,17,21).
What are the key properties of N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide?
N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide is sourced from PubChem (CID 35758935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).