2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one

C15H15N3O2S — CID 88978515

IUPAC2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one
SMILESCCNc1nc(-c2cc(=O)c3ccc(OC)cc3[nH]2)cs1
InChIInChI=1S/C15H15N3O2S/c1-3-16-15-18-13(8-21-15)12-7-14(19)10-5-4-9(20-2)6-11(10)17-12/h4-8H,3H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHPYRRPDWORAXIW-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one

2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one (PubChem CID 88978515) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one
PubChem CID88978515
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one
SMILESCCNc1nc(-c2cc(=O)c3ccc(OC)cc3[nH]2)cs1
InChIInChI=1S/C15H15N3O2S/c1-3-16-15-18-13(8-21-15)12-7-14(19)10-5-4-9(20-2)6-11(10)17-12/h4-8H,3H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHPYRRPDWORAXIW-UHFFFAOYSA-N
XLogP3.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one?
The IUPAC name of 2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one (CID 88978515) is 2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one?
The canonical SMILES for 2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one is CCNc1nc(-c2cc(=O)c3ccc(OC)cc3[nH]2)cs1.
What is the InChIKey of 2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one?
The InChIKey is HPYRRPDWORAXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-3-16-15-18-13(8-21-15)12-7-14(19)10-5-4-9(20-2)6-11(10)17-12/h4-8H,3H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one?
2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one has a molecular weight of 301.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 88978515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).