N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine

C23H26ClN5O — CID 171793390

IUPACN'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
SMILESCNO.Cc1ccc(Nc2cc(CC/N=C/N)c3[nH]c4ccc(Cl)cc4c3c2)cc1
InChIInChI=1S/C22H21ClN4.CH5NO/c1-14-2-5-17(6-3-14)26-18-10-15(8-9-25-13-24)22-20(12-18)19-11-16(23)4-7-21(19)27-22;1-2-3/h2-7,10-13,26-27H,8-9H2,1H3,(H2,24,25);2-3H,1H3
InChIKeyGEQISJXYWHBVMD-UHFFFAOYSA-N
MW423.95 g/mol
LogP5.15
Rot. Bonds5

About N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine

N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine (PubChem CID 171793390) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine.

Molecular Properties

Compound NameN'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
PubChem CID171793390
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC NameN'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
SMILESCNO.Cc1ccc(Nc2cc(CC/N=C/N)c3[nH]c4ccc(Cl)cc4c3c2)cc1
InChIInChI=1S/C22H21ClN4.CH5NO/c1-14-2-5-17(6-3-14)26-18-10-15(8-9-25-13-24)22-20(12-18)19-11-16(23)4-7-21(19)27-22;1-2-3/h2-7,10-13,26-27H,8-9H2,1H3,(H2,24,25);2-3H,1H3
InChIKeyGEQISJXYWHBVMD-UHFFFAOYSA-N
XLogP5.15
TPSA98.46 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.95
LogP ≤ 55.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine 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

2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
CID 171793226
N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
CID 171794080
1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
CID 174337362
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine
CID 171793415
2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
CID 171793695
2-[[6-chloro-3-(3-chloro-4-methylanilino)-9H-carbazol-1-yl]methyl]guanidine
CID 171793368
N'-[2-[6,7-dichloro-3-(4-chloro-3-cyanoanilino)-9H-carbazol-1-yl]ethyl]methanimidamide
CID 171793911
6,7-dichloro-N-(4-chlorophenyl)-1-[2-(4-methylanilino)ethyl]-9H-carbazol-3-amine;methanamine;methanimine
CID 171793962
1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
CID 171793594
N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
CID 171793856

Frequently Asked Questions

What is the IUPAC name of N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine?
The IUPAC name of N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine (CID 171793390) is N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine.
What is the SMILES notation for N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine?
The canonical SMILES for N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine is CNO.Cc1ccc(Nc2cc(CC/N=C/N)c3[nH]c4ccc(Cl)cc4c3c2)cc1.
What is the InChIKey of N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine?
The InChIKey is GEQISJXYWHBVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4.CH5NO/c1-14-2-5-17(6-3-14)26-18-10-15(8-9-25-13-24)22-20(12-18)19-11-16(23)4-7-21(19)27-22;1-2-3/h2-7,10-13,26-27H,8-9H2,1H3,(H2,24,25);2-3H,1H3.
What are the key properties of N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine?
N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine has a molecular weight of 423.95 g/mol, XLogP of 5.15, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine is sourced from PubChem (CID 171793390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).