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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Related Compounds

(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 14962267
4-methoxy-N-(4-(2-oxo-2-(phenethylamino)ethyl)thiazol-2-yl)benzamide
CID 18567960
2-(2-Isopropylamino-thiazol-4-yl)-7-methoxy-quinolin-4-ol
CID 11666816
[4-[[4-[Amino-(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]amino]phenyl]-phenylmethanone
CID 46943022
N-{4-[5-(4-Methoxy-benzoyl)-4-methyl-thiazol-2-ylamino]-phenyl}-acetamide
CID 1123748
[4-Amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 44250179
N-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 49778200
1-[4-[[4-[1-Amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 49795710
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-2-(4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 135516083
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 733855
1-(4-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino}phenyl)ethanone
CID 972852

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).