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

C20H23N3O2S — CID 118736860

IUPAC4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCOC1CCC(Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C20H23N3O2S/c1-23-18-8-3-13(19-11-21-12-26-19)9-16(18)17(10-20(23)24)22-14-4-6-15(25-2)7-5-14/h3,8-12,14-15,22H,4-7H2,1-2H3
InChIKeyHGZNNZYWRLBABG-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.03
Rot. Bonds4

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

4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one (PubChem CID 118736860) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one.

Molecular Properties

Compound Name4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
PubChem CID118736860
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCOC1CCC(Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C20H23N3O2S/c1-23-18-8-3-13(19-11-21-12-26-19)9-16(18)17(10-20(23)24)22-14-4-6-15(25-2)7-5-14/h3,8-12,14-15,22H,4-7H2,1-2H3
InChIKeyHGZNNZYWRLBABG-UHFFFAOYSA-N
XLogP4.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.03
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
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-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The IUPAC name of 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one (CID 118736860) is 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one.
What is the SMILES notation for 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The canonical SMILES for 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one is COC1CCC(Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1.
What is the InChIKey of 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The InChIKey is HGZNNZYWRLBABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-23-18-8-3-13(19-11-21-12-26-19)9-16(18)17(10-20(23)24)22-14-4-6-15(25-2)7-5-14/h3,8-12,14-15,22H,4-7H2,1-2H3.
What are the key properties of 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one has a molecular weight of 369.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one is sourced from PubChem (CID 118736860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).