2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide

C22H22N2O4 — CID 137260538

IUPAC2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide
SMILESCOc1ccccc1OCC(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCCC1
InChIInChI=1S/C22H22N2O4/c1-27-19-8-4-5-9-20(19)28-13-21(25)23-14-10-11-16-15-6-2-3-7-17(15)22(26)24-18(16)12-14/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,24,26)/b23-14+
InChIKeyIXFIGSJBPINQJI-OEAKJJBVSA-N
MW378.43 g/mol
LogP3.11
Rot. Bonds4

About 2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide

2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide (PubChem CID 137260538) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide
PubChem CID137260538
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide
SMILESCOc1ccccc1OCC(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCCC1
InChIInChI=1S/C22H22N2O4/c1-27-19-8-4-5-9-20(19)28-13-21(25)23-14-10-11-16-15-6-2-3-7-17(15)22(26)24-18(16)12-14/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,24,26)/b23-14+
InChIKeyIXFIGSJBPINQJI-OEAKJJBVSA-N
XLogP3.11
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
CID 137259224
2-(2-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259226
2-(4-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259228
2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259229
2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259233
2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 137259264
2-(4-ethoxyphenoxy)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259422
2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259424
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
CID 137259570
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(2-methoxyphenoxy)acetamide
CID 137259572
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide
CID 137259574
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide
CID 137259575

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide (CID 137260538) is 2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide is COc1ccccc1OCC(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCCC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide?
The InChIKey is IXFIGSJBPINQJI-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-19-8-4-5-9-20(19)28-13-21(25)23-14-10-11-16-15-6-2-3-7-17(15)22(26)24-18(16)12-14/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,24,26)/b23-14+.
What are the key properties of 2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide?
2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide is sourced from PubChem (CID 137260538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).