4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one

C19H21N3O2S — CID 118736862

IUPAC4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCn1c(=O)cc(NC2CCC(O)CC2)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C19H21N3O2S/c1-22-17-7-2-12(18-10-20-11-25-18)8-15(17)16(9-19(22)24)21-13-3-5-14(23)6-4-13/h2,7-11,13-14,21,23H,3-6H2,1H3
InChIKeyKEKZQVPNLJQCJI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.38
Rot. Bonds3

About 4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one

4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one (PubChem CID 118736862) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
PubChem CID118736862
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCn1c(=O)cc(NC2CCC(O)CC2)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C19H21N3O2S/c1-22-17-7-2-12(18-10-20-11-25-18)8-15(17)16(9-19(22)24)21-13-3-5-14(23)6-4-13/h2,7-11,13-14,21,23H,3-6H2,1H3
InChIKeyKEKZQVPNLJQCJI-UHFFFAOYSA-N
XLogP3.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
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
4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one
CID 118736878
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one (CID 118736862) is 4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one is Cn1c(=O)cc(NC2CCC(O)CC2)c2cc(-c3cncs3)ccc21.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The InChIKey is KEKZQVPNLJQCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-22-17-7-2-12(18-10-20-11-25-18)8-15(17)16(9-19(22)24)21-13-3-5-14(23)6-4-13/h2,7-11,13-14,21,23H,3-6H2,1H3.
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one has a molecular weight of 355.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one is sourced from PubChem (CID 118736862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).