N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

C17H12F3N3S — CID 143597665

IUPACN-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3ccc4c(c23)CCS4)cc1
InChIInChI=1S/C17H12F3N3S/c18-17(19,20)10-1-3-11(4-2-10)23-16-15-12-7-8-24-14(12)6-5-13(15)21-9-22-16/h1-6,9H,7-8H2,(H,21,22,23)
InChIKeyDZYRZOSZQZSCKW-UHFFFAOYSA-N
MW347.37 g/mol
LogP5.04
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 143597665) has the molecular formula C17H12F3N3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID143597665
Molecular FormulaC17H12F3N3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3ccc4c(c23)CCS4)cc1
InChIInChI=1S/C17H12F3N3S/c18-17(19,20)10-1-3-11(4-2-10)23-16-15-12-7-8-24-14(12)6-5-13(15)21-9-22-16/h1-6,9H,7-8H2,(H,21,22,23)
InChIKeyDZYRZOSZQZSCKW-UHFFFAOYSA-N
XLogP5.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 143597665) is N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is FC(F)(F)c1ccc(Nc2ncnc3ccc4c(c23)CCS4)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is DZYRZOSZQZSCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3S/c18-17(19,20)10-1-3-11(4-2-10)23-16-15-12-7-8-24-14(12)6-5-13(15)21-9-22-16/h1-6,9H,7-8H2,(H,21,22,23).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 347.37 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 143597665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).