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

C16H12FN3S — CID 143597694

IUPACN-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESFc1ccc(Nc2ncnc3ccc4c(c23)CCS4)cc1
InChIInChI=1S/C16H12FN3S/c17-10-1-3-11(4-2-10)20-16-15-12-7-8-21-14(12)6-5-13(15)18-9-19-16/h1-6,9H,7-8H2,(H,18,19,20)
InChIKeyAPSBSJDKGCPCFJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.16
Rot. Bonds2

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

N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 143597694) has the molecular formula C16H12FN3S and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID143597694
Molecular FormulaC16H12FN3S
Molecular Weight297.36 g/mol
Exact Mass297.07
IUPAC NameN-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESFc1ccc(Nc2ncnc3ccc4c(c23)CCS4)cc1
InChIInChI=1S/C16H12FN3S/c17-10-1-3-11(4-2-10)20-16-15-12-7-8-21-14(12)6-5-13(15)18-9-19-16/h1-6,9H,7-8H2,(H,18,19,20)
InChIKeyAPSBSJDKGCPCFJ-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 143597694) is N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is Fc1ccc(Nc2ncnc3ccc4c(c23)CCS4)cc1.
What is the InChIKey of N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is APSBSJDKGCPCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3S/c17-10-1-3-11(4-2-10)20-16-15-12-7-8-21-14(12)6-5-13(15)18-9-19-16/h1-6,9H,7-8H2,(H,18,19,20).
What are the key properties of N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 297.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 143597694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).