N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine

C23H26ClN5O — CID 171793415

IUPACN'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine
SMILESCN.N/C=N/CCCOc1cc(Nc2ccccc2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C22H21ClN4O.CH5N/c23-15-7-8-20-18(11-15)19-12-17(26-16-5-2-1-3-6-16)13-21(22(19)27-20)28-10-4-9-25-14-24;1-2/h1-3,5-8,11-14,26-27H,4,9-10H2,(H2,24,25);2H2,1H3
InChIKeyGRIFRKDNNLDDLJ-UHFFFAOYSA-N
MW423.95 g/mol
LogP5.05
Rot. Bonds7

About N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine

N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine (PubChem CID 171793415) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine.

Molecular Properties

Compound NameN'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine
PubChem CID171793415
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC NameN'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine
SMILESCN.N/C=N/CCCOc1cc(Nc2ccccc2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C22H21ClN4O.CH5N/c23-15-7-8-20-18(11-15)19-12-17(26-16-5-2-1-3-6-16)13-21(22(19)27-20)28-10-4-9-25-14-24;1-2/h1-3,5-8,11-14,26-27H,4,9-10H2,(H2,24,25);2H2,1H3
InChIKeyGRIFRKDNNLDDLJ-UHFFFAOYSA-N
XLogP5.05
TPSA101.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.95
LogP ≤ 55.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine 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

1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine
CID 171793946
N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
CID 171793390
N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
CID 171794080
N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide
CID 90894982
tert-butyl 2-[[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 171793539
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
CID 171793226
2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
CID 171793695
1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
CID 171793183
2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
2-[[6-chloro-3-(3-chloro-4-methylanilino)-9H-carbazol-1-yl]methyl]guanidine
CID 171793368
1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
CID 171793594

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine?
The IUPAC name of N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine (CID 171793415) is N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine.
What is the SMILES notation for N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine?
The canonical SMILES for N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine is CN.N/C=N/CCCOc1cc(Nc2ccccc2)cc2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine?
The InChIKey is GRIFRKDNNLDDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O.CH5N/c23-15-7-8-20-18(11-15)19-12-17(26-16-5-2-1-3-6-16)13-21(22(19)27-20)28-10-4-9-25-14-24;1-2/h1-3,5-8,11-14,26-27H,4,9-10H2,(H2,24,25);2H2,1H3.
What are the key properties of N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine?
N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine has a molecular weight of 423.95 g/mol, XLogP of 5.05, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(3-anilino-6-chloro-9H-carbazol-1-yl)oxy]propyl]methanimidamide;methanamine is sourced from PubChem (CID 171793415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).