3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one

C15H15N3O2S — CID 62209410

IUPAC3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCOc1ccc2cc(Cn3c(C)csc3=O)c(N)nc2c1
InChIInChI=1S/C15H15N3O2S/c1-9-8-21-15(19)18(9)7-11-5-10-3-4-12(20-2)6-13(10)17-14(11)16/h3-6,8H,7H2,1-2H3,(H2,16,17)
InChIKeyDIDODGPVCWGFIW-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.41
Rot. Bonds3

About 3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one

3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 62209410) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID62209410
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCOc1ccc2cc(Cn3c(C)csc3=O)c(N)nc2c1
InChIInChI=1S/C15H15N3O2S/c1-9-8-21-15(19)18(9)7-11-5-10-3-4-12(20-2)6-13(10)17-14(11)16/h3-6,8H,7H2,1-2H3,(H2,16,17)
InChIKeyDIDODGPVCWGFIW-UHFFFAOYSA-N
XLogP2.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one (CID 62209410) is 3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one is COc1ccc2cc(Cn3c(C)csc3=O)c(N)nc2c1.
What is the InChIKey of 3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is DIDODGPVCWGFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-8-21-15(19)18(9)7-11-5-10-3-4-12(20-2)6-13(10)17-14(11)16/h3-6,8H,7H2,1-2H3,(H2,16,17).
What are the key properties of 3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one?
3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 301.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 62209410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).