1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one

C17H18N2OS — CID 516446

IUPAC1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one
SMILESCCn1c(-c2nccs2)cc(=O)c2cc(C(C)C)ccc21
InChIInChI=1S/C17H18N2OS/c1-4-19-14-6-5-12(11(2)3)9-13(14)16(20)10-15(19)17-18-7-8-21-17/h5-11H,4H2,1-3H3
InChIKeyYPUOLHYWVVEXMM-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.27
Rot. Bonds3

About 1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one

1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one (PubChem CID 516446) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one
PubChem CID516446
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one
SMILESCCn1c(-c2nccs2)cc(=O)c2cc(C(C)C)ccc21
InChIInChI=1S/C17H18N2OS/c1-4-19-14-6-5-12(11(2)3)9-13(14)16(20)10-15(19)17-18-7-8-21-17/h5-11H,4H2,1-3H3
InChIKeyYPUOLHYWVVEXMM-UHFFFAOYSA-N
XLogP4.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one?
The IUPAC name of 1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one (CID 516446) is 1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one.
What is the SMILES notation for 1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one?
The canonical SMILES for 1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one is CCn1c(-c2nccs2)cc(=O)c2cc(C(C)C)ccc21.
What is the InChIKey of 1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one?
The InChIKey is YPUOLHYWVVEXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-4-19-14-6-5-12(11(2)3)9-13(14)16(20)10-15(19)17-18-7-8-21-17/h5-11H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one?
1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one has a molecular weight of 298.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)quinolin-4-one is sourced from PubChem (CID 516446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).