4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one

C17H17N3O2S — CID 118736850

IUPAC4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
SMILESO=c1cc(NC2CCOCC2)c2cc(-c3cncs3)ccc2[nH]1
InChIInChI=1S/C17H17N3O2S/c21-17-8-15(19-12-3-5-22-6-4-12)13-7-11(1-2-14(13)20-17)16-9-18-10-23-16/h1-2,7-10,12H,3-6H2,(H2,19,20,21)
InChIKeyCSWOETBECUDEEP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.24
Rot. Bonds3

About 4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one

4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one (PubChem CID 118736850) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
PubChem CID118736850
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
SMILESO=c1cc(NC2CCOCC2)c2cc(-c3cncs3)ccc2[nH]1
InChIInChI=1S/C17H17N3O2S/c21-17-8-15(19-12-3-5-22-6-4-12)13-7-11(1-2-14(13)20-17)16-9-18-10-23-16/h1-2,7-10,12H,3-6H2,(H2,19,20,21)
InChIKeyCSWOETBECUDEEP-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
CID 118736855
CD38 inhibitor 1
CID 118736856
4-[[4-(2-Methoxyethoxy)cyclohexyl]amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736857
4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
CID 118736859
4-[(4-Methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736861
N-methyl-4-[[2-oxo-6-(1,3-thiazol-5-yl)-1H-quinolin-4-yl]amino]cyclohexane-1-carboxamide
CID 118736884
N-methyl-4-[[8-methyl-2-oxo-6-(1,3-thiazol-5-yl)-1H-quinolin-4-yl]amino]cyclohexane-1-carboxamide
CID 118736885
4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide
CID 118736887
4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide
CID 118736849
8-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
CID 118736851
1-Methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736852
1,8-Dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736853

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one (CID 118736850) is 4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one is O=c1cc(NC2CCOCC2)c2cc(-c3cncs3)ccc2[nH]1.
What is the InChIKey of 4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one?
The InChIKey is CSWOETBECUDEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-17-8-15(19-12-3-5-22-6-4-12)13-7-11(1-2-14(13)20-17)16-9-18-10-23-16/h1-2,7-10,12H,3-6H2,(H2,19,20,21).
What are the key properties of 4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one?
4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one has a molecular weight of 327.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 118736850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).