N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide

C26H23N3O2S2 — CID 23908660

IUPACN-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide
SMILESCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(NC(=O)c3ccccc3)cc1)C(C)(C)N2
InChIInChI=1S/C26H23N3O2S2/c1-26(2)23-22(20-15-19(31-3)13-14-21(20)29-26)25(33-32-23)28-18-11-9-17(10-12-18)27-24(30)16-7-5-4-6-8-16/h4-15,29H,1-3H3,(H,27,30)/b28-25-
InChIKeyQUMKUOWSMVIMRV-FVDSYPCUSA-N
MW473.62 g/mol
LogP6.63
Rot. Bonds4

About N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide

N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide (PubChem CID 23908660) has the molecular formula C26H23N3O2S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide
PubChem CID23908660
Molecular FormulaC26H23N3O2S2
Molecular Weight473.62 g/mol
Exact Mass473.12
IUPAC NameN-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide
SMILESCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(NC(=O)c3ccccc3)cc1)C(C)(C)N2
InChIInChI=1S/C26H23N3O2S2/c1-26(2)23-22(20-15-19(31-3)13-14-21(20)29-26)25(33-32-23)28-18-11-9-17(10-12-18)27-24(30)16-7-5-4-6-8-16/h4-15,29H,1-3H3,(H,27,30)/b28-25-
InChIKeyQUMKUOWSMVIMRV-FVDSYPCUSA-N
XLogP6.63
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide with MolForge

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Related Compounds

8-ethoxy-N-(4-methoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
CID 2302192
N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
CID 3278465
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[4-[[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135834678
4-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]-N-(4-methoxyphenyl)benzamide
CID 69211691
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
4-fluoro-N-[4-[2-(7-methoxy-3,3-dimethyl-4H-isoquinolin-1-yl)acetyl]phenyl]benzamide
CID 90841114
4-methoxy-N,2-diphenylbenzamide
CID 156739257
(4-benzamidophenyl) acetate
CID 34734144
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986095

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide?
The IUPAC name of N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide (CID 23908660) is N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide is COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(NC(=O)c3ccccc3)cc1)C(C)(C)N2.
What is the InChIKey of N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide?
The InChIKey is QUMKUOWSMVIMRV-FVDSYPCUSA-N. The full InChI is InChI=1S/C26H23N3O2S2/c1-26(2)23-22(20-15-19(31-3)13-14-21(20)29-26)25(33-32-23)28-18-11-9-17(10-12-18)27-24(30)16-7-5-4-6-8-16/h4-15,29H,1-3H3,(H,27,30)/b28-25-.
What are the key properties of N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide?
N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide has a molecular weight of 473.62 g/mol, XLogP of 6.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide is sourced from PubChem (CID 23908660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).