4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide

C22H26N4O2S — CID 118736887

IUPAC4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1
InChIInChI=1S/C22H26N4O2S/c1-13-8-15(19-11-24-12-29-19)9-17-18(10-20(27)26(3)21(13)17)25-16-6-4-14(5-7-16)22(28)23-2/h8-12,14,16,25H,4-7H2,1-3H3,(H,23,28)
InChIKeyDOPAYNPSNQQSRM-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.69
Rot. Bonds4

About 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide

4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 118736887) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide
PubChem CID118736887
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1
InChIInChI=1S/C22H26N4O2S/c1-13-8-15(19-11-24-12-29-19)9-17-18(10-20(27)26(3)21(13)17)25-16-6-4-14(5-7-16)22(28)23-2/h8-12,14,16,25H,4-7H2,1-3H3,(H,23,28)
InChIKeyDOPAYNPSNQQSRM-UHFFFAOYSA-N
XLogP3.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide 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
4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one
CID 118736878
4-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]cyclohexane-1-carboxylic acid
CID 122033887
4-(cyclobutylamino)-1-methylquinolin-2-one
CID 81244035
4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
CID 126724613
3-[4-(4-fluorophenyl)-2,6-dimethylphenyl]-N-methyl-2,4-dioxospiro[5.5]undecane-9-carboxamide
CID 155592177
cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106321989
N-methyl-4-[(5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 47470181
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)cyclopropanecarboxamide
CID 134797879
ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate
CID 115149178
1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 24568699

Frequently Asked Questions

What is the IUPAC name of 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide (CID 118736887) is 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1.
What is the InChIKey of 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is DOPAYNPSNQQSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-13-8-15(19-11-24-12-29-19)9-17-18(10-20(27)26(3)21(13)17)25-16-6-4-14(5-7-16)22(28)23-2/h8-12,14,16,25H,4-7H2,1-3H3,(H,23,28).
What are the key properties of 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide?
4-[[1,8-dimethyl-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 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,8-dimethyl-2-oxo-6-(1,3-thiazol-5-yl)quinolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 118736887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).