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

C21H24N4O2S — CID 118736886

IUPACN-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C21H24N4O2S/c1-22-21(27)13-3-6-15(7-4-13)24-17-10-20(26)25(2)18-8-5-14(9-16(17)18)19-11-23-12-28-19/h5,8-13,15,24H,3-4,6-7H2,1-2H3,(H,22,27)
InChIKeyDLBNZKGJZYSGJF-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.38
Rot. Bonds4

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

N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide (PubChem CID 118736886) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide
PubChem CID118736886
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C21H24N4O2S/c1-22-21(27)13-3-6-15(7-4-13)24-17-10-20(26)25(2)18-8-5-14(9-16(17)18)19-11-23-12-28-19/h5,8-13,15,24H,3-4,6-7H2,1-2H3,(H,22,27)
InChIKeyDLBNZKGJZYSGJF-UHFFFAOYSA-N
XLogP3.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide (CID 118736886) is N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide is CNC(=O)C1CCC(Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1.
What is the InChIKey of N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is DLBNZKGJZYSGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-22-21(27)13-3-6-15(7-4-13)24-17-10-20(26)25(2)18-8-5-14(9-16(17)18)19-11-23-12-28-19/h5,8-13,15,24H,3-4,6-7H2,1-2H3,(H,22,27).
What are the key properties of N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide?
N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[1-methyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 118736886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).