1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide

C27H24F3N3O2 — CID 161026230

IUPAC1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)c(OCCN3CCCC3)c2)c2cc3ccccc3nc2c1
InChIInChI=1S/C27H24F3N3O2/c28-27(29,30)22-8-7-17(16-25(22)35-12-11-33-9-3-4-10-33)20-14-19(26(31)34)15-24-21(20)13-18-5-1-2-6-23(18)32-24/h1-2,5-8,13-16H,3-4,9-12H2,(H2,31,34)
InChIKeySQANLWFUVBUTTH-UHFFFAOYSA-N
MW479.50 g/mol
LogP5.65
Rot. Bonds6

About 1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide

1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide (PubChem CID 161026230) has the molecular formula C27H24F3N3O2 and a molecular weight of 479.50 g/mol. Its IUPAC name is 1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide
PubChem CID161026230
Molecular FormulaC27H24F3N3O2
Molecular Weight479.50 g/mol
Exact Mass479.18
IUPAC Name1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)c(OCCN3CCCC3)c2)c2cc3ccccc3nc2c1
InChIInChI=1S/C27H24F3N3O2/c28-27(29,30)22-8-7-17(16-25(22)35-12-11-33-9-3-4-10-33)20-14-19(26(31)34)15-24-21(20)13-18-5-1-2-6-23(18)32-24/h1-2,5-8,13-16H,3-4,9-12H2,(H2,31,34)
InChIKeySQANLWFUVBUTTH-UHFFFAOYSA-N
XLogP5.65
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline
CID 150369278
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
CID 90670617
N'-(pyridin-4-ylmethyl)-2-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
CID 142781401
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22318837
4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide
CID 68758637
formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine
CID 130345824
4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 82796589
3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine
CID 175884266
5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403652
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]methanol
CID 63376244
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide?
The IUPAC name of 1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide (CID 161026230) is 1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide.
What is the SMILES notation for 1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide?
The canonical SMILES for 1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide is NC(=O)c1cc(-c2ccc(C(F)(F)F)c(OCCN3CCCC3)c2)c2cc3ccccc3nc2c1.
What is the InChIKey of 1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide?
The InChIKey is SQANLWFUVBUTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O2/c28-27(29,30)22-8-7-17(16-25(22)35-12-11-33-9-3-4-10-33)20-14-19(26(31)34)15-24-21(20)13-18-5-1-2-6-23(18)32-24/h1-2,5-8,13-16H,3-4,9-12H2,(H2,31,34).
What are the key properties of 1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide?
1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide has a molecular weight of 479.50 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide is sourced from PubChem (CID 161026230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).