N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide

C11H8F3N3O — CID 175774324

IUPACN-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc2cncnc12
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)5-16-10(18)8-3-1-2-7-4-15-6-17-9(7)8/h1-4,6H,5H2,(H,16,18)
InChIKeyWAPOTEQDXDCYDM-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.92
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide

N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide (PubChem CID 175774324) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide
PubChem CID175774324
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC NameN-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc2cncnc12
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)5-16-10(18)8-3-1-2-7-4-15-6-17-9(7)8/h1-4,6H,5H2,(H,16,18)
InChIKeyWAPOTEQDXDCYDM-UHFFFAOYSA-N
XLogP1.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 24812719
N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 9910975
N-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 16086091
4-methyl-N-(2-methyl-3-4-methyl-N-(2-methyl-3-(2-(methylamino)quinazolin-6-yl)benzamide
CID 16086099
4-((S)-2-Amino-1-phenyl-ethylamino)-quinazoline-8-carboxylic acid amide
CID 46869309
4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
CID 46869910
4-[[1-(3-Fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 66762174
4-[(3,5-Difluorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763104
4-[(2,4-Difluorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763159

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide (CID 175774324) is N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide is O=C(NCC(F)(F)F)c1cccc2cncnc12.
What is the InChIKey of N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide?
The InChIKey is WAPOTEQDXDCYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)5-16-10(18)8-3-1-2-7-4-15-6-17-9(7)8/h1-4,6H,5H2,(H,16,18).
What are the key properties of N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide?
N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide has a molecular weight of 255.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide is sourced from PubChem (CID 175774324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).