dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride

C17H17ClN4O2 — CID 15498911

IUPACdimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride
SMILESC[N+](C)=Cc1[nH]c2ccccc2c1Nc1ccc([N+](=O)[O-])cc1.[Cl-]
InChIInChI=1S/C17H16N4O2.ClH/c1-20(2)11-16-17(14-5-3-4-6-15(14)19-16)18-12-7-9-13(10-8-12)21(22)23;/h3-11H,1-2H3,(H,18,19);1H
InChIKeyVBLXRPITVIBVIC-UHFFFAOYSA-N
MW344.80 g/mol
LogP0.51
Rot. Bonds4

About dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride

dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride (PubChem CID 15498911) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride.

Molecular Properties

Compound Namedimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride
PubChem CID15498911
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Namedimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride
SMILESC[N+](C)=Cc1[nH]c2ccccc2c1Nc1ccc([N+](=O)[O-])cc1.[Cl-]
InChIInChI=1S/C17H16N4O2.ClH/c1-20(2)11-16-17(14-5-3-4-6-15(14)19-16)18-12-7-9-13(10-8-12)21(22)23;/h3-11H,1-2H3,(H,18,19);1H
InChIKeyVBLXRPITVIBVIC-UHFFFAOYSA-N
XLogP0.51
TPSA73.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride 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

3-methoxy-4-(4-nitroanilino)cyclobut-3-ene-1,2-dione
CID 87433363
3-methyl-2-(4-nitrophenyl)-1H-indole
CID 132544245
N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]-4-nitroaniline
CID 7106162
3-ethoxy-4-(4-nitroanilino)cyclobut-3-ene-1,2-dione
CID 46845356
2,4,6-trinitro-N-(4-nitrophenyl)aniline
CID 631601
4-(4-nitroanilino)-2H-phthalazin-1-one
CID 162514674
N-(4-nitrophenyl)-2-benzofuran-1-amine
CID 175690055
3-[[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]diazenyl]-1H-indol-2-ol
CID 135939450
N-(4-nitrophenyl)-7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1,3,5,7,9,11,13(16),14-octaen-2-amine
CID 136683340
ethyl 3-[(4-nitrobenzoyl)amino]-1H-indole-2-carboxylate
CID 4179988
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
2-(4-nitroanilino)phenol
CID 14224817

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride?
The IUPAC name of dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride (CID 15498911) is dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride.
What is the SMILES notation for dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride?
The canonical SMILES for dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride is C[N+](C)=Cc1[nH]c2ccccc2c1Nc1ccc([N+](=O)[O-])cc1.[Cl-].
What is the InChIKey of dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride?
The InChIKey is VBLXRPITVIBVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.ClH/c1-20(2)11-16-17(14-5-3-4-6-15(14)19-16)18-12-7-9-13(10-8-12)21(22)23;/h3-11H,1-2H3,(H,18,19);1H.
What are the key properties of dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride?
dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride has a molecular weight of 344.80 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[3-(4-nitroanilino)-1H-indol-2-yl]methylidene]azanium chloride is sourced from PubChem (CID 15498911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).