N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C18H15N5O2 — CID 52899779

IUPACN-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCn1ccc2c(NC(=O)Cn3nnc4ccccc4c3=O)cccc21
InChIInChI=1S/C18H15N5O2/c1-22-10-9-12-14(7-4-8-16(12)22)19-17(24)11-23-18(25)13-5-2-3-6-15(13)20-21-23/h2-10H,11H2,1H3,(H,19,24)
InChIKeySFUVKVSPJBKIRP-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.92
Rot. Bonds3

About N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 52899779) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID52899779
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCn1ccc2c(NC(=O)Cn3nnc4ccccc4c3=O)cccc21
InChIInChI=1S/C18H15N5O2/c1-22-10-9-12-14(7-4-8-16(12)22)19-17(24)11-23-18(25)13-5-2-3-6-15(13)20-21-23/h2-10H,11H2,1H3,(H,19,24)
InChIKeySFUVKVSPJBKIRP-UHFFFAOYSA-N
XLogP1.92
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 9354097
methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate
CID 2714539
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24509256
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 52899779) is N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is Cn1ccc2c(NC(=O)Cn3nnc4ccccc4c3=O)cccc21.
What is the InChIKey of N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is SFUVKVSPJBKIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-22-10-9-12-14(7-4-8-16(12)22)19-17(24)11-23-18(25)13-5-2-3-6-15(13)20-21-23/h2-10H,11H2,1H3,(H,19,24).
What are the key properties of N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 333.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 52899779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).