[4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium

C26H32ClN2O2+ — CID 11553940

IUPAC[4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium
SMILESCc1cc(Cl)cc2c1OCC(C(=O)Nc1ccc(C[N+](C)(C)C3CCCCC3)cc1)=C2
InChIInChI=1S/C26H31ClN2O2/c1-18-13-22(27)15-20-14-21(17-31-25(18)20)26(30)28-23-11-9-19(10-12-23)16-29(2,3)24-7-5-4-6-8-24/h9-15,24H,4-8,16-17H2,1-3H3/p+1
InChIKeyMONPQQSYGBQKMV-UHFFFAOYSA-O
MW440.01 g/mol
LogP5.97
Rot. Bonds5

About [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium

[4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium (PubChem CID 11553940) has the molecular formula C26H32ClN2O2+ and a molecular weight of 440.01 g/mol. Its IUPAC name is [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium.

Molecular Properties

Compound Name[4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium
PubChem CID11553940
Molecular FormulaC26H32ClN2O2+
Molecular Weight440.01 g/mol
Exact Mass439.21
IUPAC Name[4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium
SMILESCc1cc(Cl)cc2c1OCC(C(=O)Nc1ccc(C[N+](C)(C)C3CCCCC3)cc1)=C2
InChIInChI=1S/C26H31ClN2O2/c1-18-13-22(27)15-20-14-21(17-31-25(18)20)26(30)28-23-11-9-19(10-12-23)16-29(2,3)24-7-5-4-6-8-24/h9-15,24H,4-8,16-17H2,1-3H3/p+1
InChIKeyMONPQQSYGBQKMV-UHFFFAOYSA-O
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.01
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium 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

[4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-dimethyl-(thiolan-3-yl)azanium chloride
CID 87453962
[4-[(7-chloro-5-methyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium
CID 118928966
cyclohexyl-[[4-[(7,8-dichloro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium iodide
CID 118914110
cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium
CID 25270878
cyclohexyl-[[4-[(6,8-dichloro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium;cyclohexyl-[[4-[(6-methoxy-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium;dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]-(oxan-4-yl)azanium
CID 160524959
[4-[(6-bromo-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium;[4-[(6-chloro-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium;[4-[(6-chloro-2H-chromene-3-carbonyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
CID 159502297
cyclohexyl-[[4-[(2,5-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium chloride
CID 25269862
[4-[(3-chloro-4-methylbenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium iodide
CID 118914131
dimethyl-(thiolan-3-yl)-[[4-[[6-(trifluoromethyl)-2H-chromene-3-carbonyl]amino]phenyl]methyl]azanium
CID 58775923
N-[4-[[cyclohexyl(dimethyl)azaniumyl]methyl]phenyl]-7-methyl-2H-chromene-3-carboximidate
CID 11632800
[4-[[7-(4-ethylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
CID 18472354
dimethyl-[[4-[[3-(4-methylphenyl)benzoyl]amino]phenyl]methyl]-(oxan-4-yl)azanium iodide
CID 118914134

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium?
The IUPAC name of [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium (CID 11553940) is [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium.
What is the SMILES notation for [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium?
The canonical SMILES for [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium is Cc1cc(Cl)cc2c1OCC(C(=O)Nc1ccc(C[N+](C)(C)C3CCCCC3)cc1)=C2.
What is the InChIKey of [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium?
The InChIKey is MONPQQSYGBQKMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H31ClN2O2/c1-18-13-22(27)15-20-14-21(17-31-25(18)20)26(30)28-23-11-9-19(10-12-23)16-29(2,3)24-7-5-4-6-8-24/h9-15,24H,4-8,16-17H2,1-3H3/p+1.
What are the key properties of [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium?
[4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium has a molecular weight of 440.01 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium is sourced from PubChem (CID 11553940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).