2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

C23H16F3N3O2 — CID 102496665

IUPAC2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESNc1cccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C23H16F3N3O2/c24-23(25,26)15-9-10-20(31-17-7-2-6-16(27)13-17)18(12-15)22(30)29-19-8-1-4-14-5-3-11-28-21(14)19/h1-13H,27H2,(H,29,30)
InChIKeyANANFIVJJDNKDQ-UHFFFAOYSA-N
MW423.39 g/mol
LogP5.88
Rot. Bonds4

About 2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (PubChem CID 102496665) has the molecular formula C23H16F3N3O2 and a molecular weight of 423.39 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
PubChem CID102496665
Molecular FormulaC23H16F3N3O2
Molecular Weight423.39 g/mol
Exact Mass423.12
IUPAC Name2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESNc1cccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C23H16F3N3O2/c24-23(25,26)15-9-10-20(31-17-7-2-6-16(27)13-17)18(12-15)22(30)29-19-8-1-4-14-5-3-11-28-21(14)19/h1-13H,27H2,(H,29,30)
InChIKeyANANFIVJJDNKDQ-UHFFFAOYSA-N
XLogP5.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.39
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ibcasertib
CID 49779393
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
2-methoxy-N-quinolin-8-ylbenzamide
CID 836519
2-[7-[(3-Fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546
4-methoxy-N-(6-methoxyquinolin-8-yl)benzamide
CID 877405
7-ethoxy-4-(3-(2-methylpyridin-4-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 11442010
6-[(7-Methoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamide
CID 24823095
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 44511358
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-4-nitro-3-(trifluoromethyl)benzamide
CID 44511359
2-{[(4-Fluorophenyl)methyl]oxy}-N-3-pyridinyl-5-(trifluoromethyl)benzamide
CID 67106997
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (CID 102496665) is 2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is Nc1cccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The InChIKey is ANANFIVJJDNKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O2/c24-23(25,26)15-9-10-20(31-17-7-2-6-16(27)13-17)18(12-15)22(30)29-19-8-1-4-14-5-3-11-28-21(14)19/h1-13H,27H2,(H,29,30).
What are the key properties of 2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide has a molecular weight of 423.39 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 102496665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).