4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide

C22H26N4O2S — CID 118736849

IUPAC4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCCn1c(=O)cc(NC2CCC(C(=O)NC)CC2)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C22H26N4O2S/c1-3-26-19-9-6-15(20-12-24-13-29-20)10-17(19)18(11-21(26)27)25-16-7-4-14(5-8-16)22(28)23-2/h6,9-14,16,25H,3-5,7-8H2,1-2H3,(H,23,28)
InChIKeyHRPDLIRHUMUQDQ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.86
Rot. Bonds5

About 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide

4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 118736849) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide
PubChem CID118736849
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCCn1c(=O)cc(NC2CCC(C(=O)NC)CC2)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C22H26N4O2S/c1-3-26-19-9-6-15(20-12-24-13-29-20)10-17(19)18(11-21(26)27)25-16-7-4-14(5-8-16)22(28)23-2/h6,9-14,16,25H,3-5,7-8H2,1-2H3,(H,23,28)
InChIKeyHRPDLIRHUMUQDQ-UHFFFAOYSA-N
XLogP3.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(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
1,8-Dimethyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736853

Frequently Asked Questions

What is the IUPAC name of 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide (CID 118736849) is 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide is CCn1c(=O)cc(NC2CCC(C(=O)NC)CC2)c2cc(-c3cncs3)ccc21.
What is the InChIKey of 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is HRPDLIRHUMUQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-3-26-19-9-6-15(20-12-24-13-29-20)10-17(19)18(11-21(26)27)25-16-7-4-14(5-8-16)22(28)23-2/h6,9-14,16,25H,3-5,7-8H2,1-2H3,(H,23,28).
What are the key properties of 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide?
4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-ethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 118736849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).