1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one

C23H29N3O3S — CID 118736858

IUPAC1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCCn1c(=O)cc(NC2CCC(OCCOC)CC2)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C23H29N3O3S/c1-3-26-21-9-4-16(22-14-24-15-30-22)12-19(21)20(13-23(26)27)25-17-5-7-18(8-6-17)29-11-10-28-2/h4,9,12-15,17-18,25H,3,5-8,10-11H2,1-2H3
InChIKeyVOHWAEFKDIHGLY-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.53
Rot. Bonds8

About 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one

1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one (PubChem CID 118736858) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one
PubChem CID118736858
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCCn1c(=O)cc(NC2CCC(OCCOC)CC2)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C23H29N3O3S/c1-3-26-21-9-4-16(22-14-24-15-30-22)12-19(21)20(13-23(26)27)25-17-5-7-18(8-6-17)29-11-10-28-2/h4,9,12-15,17-18,25H,3,5-8,10-11H2,1-2H3
InChIKeyVOHWAEFKDIHGLY-UHFFFAOYSA-N
XLogP4.53
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one with MolForge

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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 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one?
The IUPAC name of 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one (CID 118736858) is 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one.
What is the SMILES notation for 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one?
The canonical SMILES for 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one is CCn1c(=O)cc(NC2CCC(OCCOC)CC2)c2cc(-c3cncs3)ccc21.
What is the InChIKey of 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one?
The InChIKey is VOHWAEFKDIHGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-3-26-21-9-4-16(22-14-24-15-30-22)12-19(21)20(13-23(26)27)25-17-5-7-18(8-6-17)29-11-10-28-2/h4,9,12-15,17-18,25H,3,5-8,10-11H2,1-2H3.
What are the key properties of 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one?
1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one has a molecular weight of 427.57 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one is sourced from PubChem (CID 118736858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).