N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide

C25H23N3O3 — CID 164897903

IUPACN-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C25H23N3O3/c1-30-23-8-4-5-9-24(23)31-17-16-27-25(29)18-10-12-19(13-11-18)28-22-14-15-26-21-7-3-2-6-20(21)22/h2-15H,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyQTAQLQMGFBMJHU-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.80
Rot. Bonds8

About N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide

N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide (PubChem CID 164897903) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide
PubChem CID164897903
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C25H23N3O3/c1-30-23-8-4-5-9-24(23)31-17-16-27-25(29)18-10-12-19(13-11-18)28-22-14-15-26-21-7-3-2-6-20(21)22/h2-15H,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyQTAQLQMGFBMJHU-UHFFFAOYSA-N
XLogP4.80
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320745
N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51545646
N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide
CID 27823943
N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27823905
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
2-benzamido-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26549757
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
N-[4-[bis(2-chloroethyl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide
CID 3025709
2-(2-methoxyphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979334
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide (CID 164897903) is N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide is COc1ccccc1OCCNC(=O)c1ccc(Nc2ccnc3ccccc23)cc1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide?
The InChIKey is QTAQLQMGFBMJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-30-23-8-4-5-9-24(23)31-17-16-27-25(29)18-10-12-19(13-11-18)28-22-14-15-26-21-7-3-2-6-20(21)22/h2-15H,16-17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide?
N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide is sourced from PubChem (CID 164897903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).