N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide

C20H19N3O2 — CID 30215530

IUPACN-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N\OCc2cccc3cccnc23)cc1
InChIInChI=1S/C20H19N3O2/c1-14(16-8-10-19(11-9-16)22-15(2)24)23-25-13-18-6-3-5-17-7-4-12-21-20(17)18/h3-12H,13H2,1-2H3,(H,22,24)/b23-14-
InChIKeyUQULJBLMVCLIMI-UCQKPKSFSA-N
MW333.39 g/mol
LogP4.13
Rot. Bonds5

About N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide

N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide (PubChem CID 30215530) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide
PubChem CID30215530
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N\OCc2cccc3cccnc23)cc1
InChIInChI=1S/C20H19N3O2/c1-14(16-8-10-19(11-9-16)22-15(2)24)23-25-13-18-6-3-5-17-7-4-12-21-20(17)18/h3-12H,13H2,1-2H3,(H,22,24)/b23-14-
InChIKeyUQULJBLMVCLIMI-UCQKPKSFSA-N
XLogP4.13
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide (CID 30215530) is N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide is CC(=O)Nc1ccc(/C(C)=N\OCc2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide?
The InChIKey is UQULJBLMVCLIMI-UCQKPKSFSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(16-8-10-19(11-9-16)22-15(2)24)23-25-13-18-6-3-5-17-7-4-12-21-20(17)18/h3-12H,13H2,1-2H3,(H,22,24)/b23-14-.
What are the key properties of N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide?
N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 30215530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).