N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide

C22H19F3N4O2 — CID 123225933

IUPACN-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)c1ccc(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)C2)c2cncnc12
InChIInChI=1S/C22H19F3N4O2/c1-13(30)17-5-6-19(18-10-26-12-27-20(17)18)29-8-7-16(11-29)28-21(31)14-3-2-4-15(9-14)22(23,24)25/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,28,31)
InChIKeyOXXIMACSSWJLNY-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.86
Rot. Bonds4

About N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide

N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 123225933) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID123225933
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC NameN-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)c1ccc(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)C2)c2cncnc12
InChIInChI=1S/C22H19F3N4O2/c1-13(30)17-5-6-19(18-10-26-12-27-20(17)18)29-8-7-16(11-29)28-21(31)14-3-2-4-15(9-14)22(23,24)25/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,28,31)
InChIKeyOXXIMACSSWJLNY-UHFFFAOYSA-N
XLogP3.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide
CID 175651784
3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 110208547
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 91843932
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-cyclopropyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-4-oxoquinazoline-8-carboxamide
CID 69228839
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide (CID 123225933) is N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide is CC(=O)c1ccc(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)C2)c2cncnc12.
What is the InChIKey of N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is OXXIMACSSWJLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-13(30)17-5-6-19(18-10-26-12-27-20(17)18)29-8-7-16(11-29)28-21(31)14-3-2-4-15(9-14)22(23,24)25/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,28,31).
What are the key properties of N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 428.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 123225933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).