2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide

C24H21N3O2 — CID 109010747

IUPAC2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C24H21N3O2/c28-23(27-22-10-4-8-19-9-5-15-25-24(19)22)16-26-20-11-13-21(14-12-20)29-17-18-6-2-1-3-7-18/h1-15,26H,16-17H2,(H,27,28)
InChIKeyCXMVDLUHQGNHBH-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.86
Rot. Bonds7

About 2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide

2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide (PubChem CID 109010747) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
PubChem CID109010747
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C24H21N3O2/c28-23(27-22-10-4-8-19-9-5-15-25-24(19)22)16-26-20-11-13-21(14-12-20)29-17-18-6-2-1-3-7-18/h1-15,26H,16-17H2,(H,27,28)
InChIKeyCXMVDLUHQGNHBH-UHFFFAOYSA-N
XLogP4.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109042005
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580
2-(4-phenylmethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37221138
N-(2-bromophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010779
2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide
CID 109010517
N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 37220850
3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
CID 69444328
2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999304
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide (CID 109010747) is 2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide is O=C(CNc1ccc(OCc2ccccc2)cc1)Nc1cccc2cccnc12.
What is the InChIKey of 2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide?
The InChIKey is CXMVDLUHQGNHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-23(27-22-10-4-8-19-9-5-15-25-24(19)22)16-26-20-11-13-21(14-12-20)29-17-18-6-2-1-3-7-18/h1-15,26H,16-17H2,(H,27,28).
What are the key properties of 2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide?
2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide has a molecular weight of 383.45 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 109010747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).