N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide

C28H29N3O2S — CID 3219087

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2cc3cc4ccc(C)cc4nc3s2)cc1
InChIInChI=1S/C28H29N3O2S/c1-18-9-12-23(13-10-18)31(17-26(32)29-22-6-4-3-5-7-22)28(33)25-16-21-15-20-11-8-19(2)14-24(20)30-27(21)34-25/h8-16,22H,3-7,17H2,1-2H3,(H,29,32)
InChIKeyCURCMUICCXEZKY-UHFFFAOYSA-N
MW471.63 g/mol
LogP6.16
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3219087) has the molecular formula C28H29N3O2S and a molecular weight of 471.63 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID3219087
Molecular FormulaC28H29N3O2S
Molecular Weight471.63 g/mol
Exact Mass471.20
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2cc3cc4ccc(C)cc4nc3s2)cc1
InChIInChI=1S/C28H29N3O2S/c1-18-9-12-23(13-10-18)31(17-26(32)29-22-6-4-3-5-7-22)28(33)25-16-21-15-20-11-8-19(2)14-24(20)30-27(21)34-25/h8-16,22H,3-7,17H2,1-2H3,(H,29,32)
InChIKeyCURCMUICCXEZKY-UHFFFAOYSA-N
XLogP6.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219279
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 1433196
7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3628117
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245
4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3172438
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219269
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3831172
4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide
CID 1463083
2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
CID 113169281
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 24761911

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide (CID 3219087) is N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide is Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2cc3cc4ccc(C)cc4nc3s2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is CURCMUICCXEZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2S/c1-18-9-12-23(13-10-18)31(17-26(32)29-22-6-4-3-5-7-22)28(33)25-16-21-15-20-11-8-19(2)14-24(20)30-27(21)34-25/h8-16,22H,3-7,17H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 471.63 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3219087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).