(2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C18H15N5O2 — CID 95395002

IUPAC(2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2cc[nH]c2c1)n1nnc2ccccc2c1=O
InChIInChI=1S/C18H15N5O2/c1-11(23-18(25)14-4-2-3-5-15(14)21-22-23)17(24)20-13-7-6-12-8-9-19-16(12)10-13/h2-11,19H,1H3,(H,20,24)/t11-/m1/s1
InChIKeyLABZWJKMTYUEPQ-LLVKDONJSA-N
MW333.35 g/mol
LogP2.47
Rot. Bonds3

About (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

(2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 95395002) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID95395002
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name(2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2cc[nH]c2c1)n1nnc2ccccc2c1=O
InChIInChI=1S/C18H15N5O2/c1-11(23-18(25)14-4-2-3-5-15(14)21-22-23)17(24)20-13-7-6-12-8-9-19-16(12)10-13/h2-11,19H,1H3,(H,20,24)/t11-/m1/s1
InChIKeyLABZWJKMTYUEPQ-LLVKDONJSA-N
XLogP2.47
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4899863
(2S)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 71829481
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 7553409
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4912205
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4905448
(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 97266945
(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 71829428
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 95395482
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916
3-(3-oxobutan-2-yl)-1,2,3-benzotriazin-4-one
CID 170011258
N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 39310773
(2S)-N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 56761930

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 95395002) is (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is C[C@H](C(=O)Nc1ccc2cc[nH]c2c1)n1nnc2ccccc2c1=O.
What is the InChIKey of (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is LABZWJKMTYUEPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11(23-18(25)14-4-2-3-5-15(14)21-22-23)17(24)20-13-7-6-12-8-9-19-16(12)10-13/h2-11,19H,1H3,(H,20,24)/t11-/m1/s1.
What are the key properties of (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
(2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 333.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 95395002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).