N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C25H19F3N4S — CID 142126102

IUPACN-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCCC1N=C(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)C=C1c1cccs1
InChIInChI=1S/C25H19F3N4S/c1-2-19-17(21-12-7-13-33-21)14-22(29-19)31-24-16-9-4-6-11-20(16)30-23(32-24)15-8-3-5-10-18(15)25(26,27)28/h3-14,19H,2H2,1H3,(H,29,30,31,32)
InChIKeyJVTQKTOCJPOEJG-UHFFFAOYSA-N
MW464.52 g/mol
LogP7.06
Rot. Bonds4

About N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 142126102) has the molecular formula C25H19F3N4S and a molecular weight of 464.52 g/mol. Its IUPAC name is N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID142126102
Molecular FormulaC25H19F3N4S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC NameN-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCCC1N=C(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)C=C1c1cccs1
InChIInChI=1S/C25H19F3N4S/c1-2-19-17(21-12-7-13-33-21)14-22(29-19)31-24-16-9-4-6-11-20(16)30-23(32-24)15-8-3-5-10-18(15)25(26,27)28/h3-14,19H,2H2,1H3,(H,29,30,31,32)
InChIKeyJVTQKTOCJPOEJG-UHFFFAOYSA-N
XLogP7.06
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 166632975
N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 142125974
2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine
CID 142126755
N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10179090
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine
CID 142128073
N-(3-ethyl-3H-isoindol-1-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142126258
N-[(4-pyridin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898222
N-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142127517
N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine
CID 142127971
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964379

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 142126102) is N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is CCC1N=C(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)C=C1c1cccs1.
What is the InChIKey of N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is JVTQKTOCJPOEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4S/c1-2-19-17(21-12-7-13-33-21)14-22(29-19)31-24-16-9-4-6-11-20(16)30-23(32-24)15-8-3-5-10-18(15)25(26,27)28/h3-14,19H,2H2,1H3,(H,29,30,31,32).
What are the key properties of N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 464.52 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 142126102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).