4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine

C18H20FN3O2S — CID 88955251

IUPAC4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCOc1cc(-c2csc(NC(C)C)n2)nc2c(F)c(OC)ccc12
InChIInChI=1S/C18H20FN3O2S/c1-5-24-15-8-12(13-9-25-18(22-13)20-10(2)3)21-17-11(15)6-7-14(23-4)16(17)19/h6-10H,5H2,1-4H3,(H,20,22)
InChIKeyNACNISVSJYTCRE-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.72
Rot. Bonds6

About 4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine

4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 88955251) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID88955251
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCOc1cc(-c2csc(NC(C)C)n2)nc2c(F)c(OC)ccc12
InChIInChI=1S/C18H20FN3O2S/c1-5-24-15-8-12(13-9-25-18(22-13)20-10(2)3)21-17-11(15)6-7-14(23-4)16(17)19/h6-10H,5H2,1-4H3,(H,20,22)
InChIKeyNACNISVSJYTCRE-UHFFFAOYSA-N
XLogP4.72
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 88955251) is 4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine is CCOc1cc(-c2csc(NC(C)C)n2)nc2c(F)c(OC)ccc12.
What is the InChIKey of 4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is NACNISVSJYTCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-5-24-15-8-12(13-9-25-18(22-13)20-10(2)3)21-17-11(15)6-7-14(23-4)16(17)19/h6-10H,5H2,1-4H3,(H,20,22).
What are the key properties of 4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 361.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-8-fluoro-7-methoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 88955251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).