N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide

C24H26F2N6O2 — CID 174329037

IUPACN-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
SMILESN/C(=C\N(N)C1CCC(CNC(=O)c2cc(F)c(O)c(F)c2)CC1)c1ccc2nccnc2c1
InChIInChI=1S/C24H26F2N6O2/c25-18-9-16(10-19(26)23(18)33)24(34)31-12-14-1-4-17(5-2-14)32(28)13-20(27)15-3-6-21-22(11-15)30-8-7-29-21/h3,6-11,13-14,17,33H,1-2,4-5,12,27-28H2,(H,31,34)/b20-13-
InChIKeyMXQNRUUNYGNSBK-MOSHPQCFSA-N
MW468.51 g/mol
LogP3.04
Rot. Bonds6

About N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide

N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide (PubChem CID 174329037) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
PubChem CID174329037
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC NameN-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
SMILESN/C(=C\N(N)C1CCC(CNC(=O)c2cc(F)c(O)c(F)c2)CC1)c1ccc2nccnc2c1
InChIInChI=1S/C24H26F2N6O2/c25-18-9-16(10-19(26)23(18)33)24(34)31-12-14-1-4-17(5-2-14)32(28)13-20(27)15-3-6-21-22(11-15)30-8-7-29-21/h3,6-11,13-14,17,33H,1-2,4-5,12,27-28H2,(H,31,34)/b20-13-
InChIKeyMXQNRUUNYGNSBK-MOSHPQCFSA-N
XLogP3.04
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide 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

3,5-difluoro-4-hydroxy-N-[[4-(6-pyridazin-4-ylindazol-2-yl)cyclohexyl]methyl]benzamide
CID 171469091
tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate
CID 175625005
3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide
CID 171469323
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
N-[[4-[6-(4,6-dimethylpyrimidin-2-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
CID 171469112
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633
(Z)-2-hydrazinyl-1-quinoxalin-6-ylethenamine
CID 171503793
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
CID 171469162
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
methyl 2-iodo-3-(quinoxaline-6-carbonylamino)propanoate
CID 103493378

Frequently Asked Questions

What is the IUPAC name of N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
The IUPAC name of N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide (CID 174329037) is N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
The canonical SMILES for N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide is N/C(=C\N(N)C1CCC(CNC(=O)c2cc(F)c(O)c(F)c2)CC1)c1ccc2nccnc2c1.
What is the InChIKey of N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
The InChIKey is MXQNRUUNYGNSBK-MOSHPQCFSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c25-18-9-16(10-19(26)23(18)33)24(34)31-12-14-1-4-17(5-2-14)32(28)13-20(27)15-3-6-21-22(11-15)30-8-7-29-21/h3,6-11,13-14,17,33H,1-2,4-5,12,27-28H2,(H,31,34)/b20-13-.
What are the key properties of N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide has a molecular weight of 468.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide is sourced from PubChem (CID 174329037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).