1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one

C19H21N3O2S — CID 118736853

IUPAC1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCc1cc(-c2cncs2)cc2c(NC3CCOCC3)cc(=O)n(C)c12
InChIInChI=1S/C19H21N3O2S/c1-12-7-13(17-10-20-11-25-17)8-15-16(9-18(23)22(2)19(12)15)21-14-3-5-24-6-4-14/h7-11,14,21H,3-6H2,1-2H3
InChIKeyVTRMEFAHIDGTBJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.56
Rot. Bonds3

About 1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one

1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one (PubChem CID 118736853) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one.

Molecular Properties

Compound Name1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
PubChem CID118736853
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCc1cc(-c2cncs2)cc2c(NC3CCOCC3)cc(=O)n(C)c12
InChIInChI=1S/C19H21N3O2S/c1-12-7-13(17-10-20-11-25-17)8-15-16(9-18(23)22(2)19(12)15)21-14-3-5-24-6-4-14/h7-11,14,21H,3-6H2,1-2H3
InChIKeyVTRMEFAHIDGTBJ-UHFFFAOYSA-N
XLogP3.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.56
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-Methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736852

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one?
The IUPAC name of 1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one (CID 118736853) is 1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one.
What is the SMILES notation for 1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one?
The canonical SMILES for 1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one is Cc1cc(-c2cncs2)cc2c(NC3CCOCC3)cc(=O)n(C)c12.
What is the InChIKey of 1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one?
The InChIKey is VTRMEFAHIDGTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-7-13(17-10-20-11-25-17)8-15-16(9-18(23)22(2)19(12)15)21-14-3-5-24-6-4-14/h7-11,14,21H,3-6H2,1-2H3.
What are the key properties of 1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one?
1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one has a molecular weight of 355.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one is sourced from PubChem (CID 118736853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).