(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone

C18H16FN3OS — CID 690869

IUPAC(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone
SMILESCN1CCc2nc3sc(C(=O)c4ccc(F)cc4)c(N)c3cc2C1
InChIInChI=1S/C18H16FN3OS/c1-22-7-6-14-11(9-22)8-13-15(20)17(24-18(13)21-14)16(23)10-2-4-12(19)5-3-10/h2-5,8H,6-7,9,20H2,1H3
InChIKeyIYMAWQSGPSVNJW-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.24
Rot. Bonds2

About (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone

(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone (PubChem CID 690869) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone
PubChem CID690869
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone
SMILESCN1CCc2nc3sc(C(=O)c4ccc(F)cc4)c(N)c3cc2C1
InChIInChI=1S/C18H16FN3OS/c1-22-7-6-14-11(9-22)8-13-15(20)17(24-18(13)21-14)16(23)10-2-4-12(19)5-3-10/h2-5,8H,6-7,9,20H2,1H3
InChIKeyIYMAWQSGPSVNJW-UHFFFAOYSA-N
XLogP3.24
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone (CID 690869) is (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone is CN1CCc2nc3sc(C(=O)c4ccc(F)cc4)c(N)c3cc2C1.
What is the InChIKey of (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone?
The InChIKey is IYMAWQSGPSVNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-22-7-6-14-11(9-22)8-13-15(20)17(24-18(13)21-14)16(23)10-2-4-12(19)5-3-10/h2-5,8H,6-7,9,20H2,1H3.
What are the key properties of (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone?
(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone has a molecular weight of 341.41 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 690869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).