2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

C22H23N3O5 — CID 68555578

IUPAC2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(C=NNC(=O)C(OC)c2cccc3ncccc23)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-27-18-11-14(12-19(28-2)21(18)30-4)13-24-25-22(26)20(29-3)16-7-5-9-17-15(16)8-6-10-23-17/h5-13,20H,1-4H3,(H,25,26)
InChIKeyHDOUNEDEKDFENW-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.10
Rot. Bonds8

About 2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 68555578) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID68555578
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(C=NNC(=O)C(OC)c2cccc3ncccc23)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-27-18-11-14(12-19(28-2)21(18)30-4)13-24-25-22(26)20(29-3)16-7-5-9-17-15(16)8-6-10-23-17/h5-13,20H,1-4H3,(H,25,26)
InChIKeyHDOUNEDEKDFENW-UHFFFAOYSA-N
XLogP3.10
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-methoxy-2-quinolin-5-ylacetamide
CID 72537569
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304
3-[(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-1-ethoxy-1-quinolin-5-ylpropan-2-one
CID 147832578
2-[4-(dimethylamino)phenyl]-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide;ethane;molecular hydrogen
CID 143939286
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 68553144
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
(2S)-2-(4-methoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 5431240
2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 75539050
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605
1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 164620319
2-pyridin-2-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5331422

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 68555578) is 2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(C=NNC(=O)C(OC)c2cccc3ncccc23)cc(OC)c1OC.
What is the InChIKey of 2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is HDOUNEDEKDFENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-27-18-11-14(12-19(28-2)21(18)30-4)13-24-25-22(26)20(29-3)16-7-5-9-17-15(16)8-6-10-23-17/h5-13,20H,1-4H3,(H,25,26).
What are the key properties of 2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 409.44 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-quinolin-5-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 68555578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).