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

C21H25N3O3S — CID 118736854

IUPAC4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
SMILESCOCCOC1CCC(Nc2cc(=O)[nH]c3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C21H25N3O3S/c1-26-8-9-27-16-5-3-15(4-6-16)23-19-11-21(25)24-18-7-2-14(10-17(18)19)20-12-22-13-28-20/h2,7,10-13,15-16H,3-6,8-9H2,1H3,(H2,23,24,25)
InChIKeyHJCHDZGEJHNQGD-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.04
Rot. Bonds7

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

4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one (PubChem CID 118736854) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
PubChem CID118736854
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
SMILESCOCCOC1CCC(Nc2cc(=O)[nH]c3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C21H25N3O3S/c1-26-8-9-27-16-5-3-15(4-6-16)23-19-11-21(25)24-18-7-2-14(10-17(18)19)20-12-22-13-28-20/h2,7,10-13,15-16H,3-6,8-9H2,1H3,(H2,23,24,25)
InChIKeyHJCHDZGEJHNQGD-UHFFFAOYSA-N
XLogP4.04
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-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 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one (CID 118736854) is 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one is COCCOC1CCC(Nc2cc(=O)[nH]c3ccc(-c4cncs4)cc23)CC1.
What is the InChIKey of 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one?
The InChIKey is HJCHDZGEJHNQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-26-8-9-27-16-5-3-15(4-6-16)23-19-11-21(25)24-18-7-2-14(10-17(18)19)20-12-22-13-28-20/h2,7,10-13,15-16H,3-6,8-9H2,1H3,(H2,23,24,25).
What are the key properties of 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one?
4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one has a molecular weight of 399.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 118736854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).