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

C18H19N3O2S — CID 118736852

IUPAC1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCn1c(=O)cc(NC2CCOCC2)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C18H19N3O2S/c1-21-16-3-2-12(17-10-19-11-24-17)8-14(16)15(9-18(21)22)20-13-4-6-23-7-5-13/h2-3,8-11,13,20H,4-7H2,1H3
InChIKeyYBWVXXAXRAVRND-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.25
Rot. Bonds3

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

1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one (PubChem CID 118736852) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
PubChem CID118736852
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCn1c(=O)cc(NC2CCOCC2)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C18H19N3O2S/c1-21-16-3-2-12(17-10-19-11-24-17)8-14(16)15(9-18(21)22)20-13-4-6-23-7-5-13/h2-3,8-11,13,20H,4-7H2,1H3
InChIKeyYBWVXXAXRAVRND-UHFFFAOYSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
4-[(Tetrahydro-2H-pyran-4-yl)amino]-6-(5-thiazolyl)-2(1h)-quinolinone
CID 118736850
8-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
CID 118736851
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 1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one?
The IUPAC name of 1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one (CID 118736852) is 1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one.
What is the SMILES notation for 1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one?
The canonical SMILES for 1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one is Cn1c(=O)cc(NC2CCOCC2)c2cc(-c3cncs3)ccc21.
What is the InChIKey of 1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one?
The InChIKey is YBWVXXAXRAVRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21-16-3-2-12(17-10-19-11-24-17)8-14(16)15(9-18(21)22)20-13-4-6-23-7-5-13/h2-3,8-11,13,20H,4-7H2,1H3.
What are the key properties of 1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one?
1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one has a molecular weight of 341.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one is sourced from PubChem (CID 118736852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).