1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

C24H24N4O2S — CID 53113699

IUPAC1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc2c(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)c(C#N)cnc2c1
InChIInChI=1S/C24H24N4O2S/c1-30-19-6-7-21-22(13-19)26-15-17(14-25)23(21)28-10-8-16(9-11-28)24(29)27-18-4-3-5-20(12-18)31-2/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,27,29)
InChIKeyVTRXZTHSMAEMLL-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.69
Rot. Bonds5

About 1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 53113699) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID53113699
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc2c(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)c(C#N)cnc2c1
InChIInChI=1S/C24H24N4O2S/c1-30-19-6-7-21-22(13-19)26-15-17(14-25)23(21)28-10-8-16(9-11-28)24(29)27-18-4-3-5-20(12-18)31-2/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,27,29)
InChIKeyVTRXZTHSMAEMLL-UHFFFAOYSA-N
XLogP4.69
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002509
N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
CID 53002505
methyl 3-[[1-(3-cyano-6-methoxyquinolin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53002484
1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53002478
7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002491
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 53113706
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 121071923
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458
1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53002466
1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 53002667

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (CID 53113699) is 1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is COc1ccc2c(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)c(C#N)cnc2c1.
What is the InChIKey of 1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is VTRXZTHSMAEMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-30-19-6-7-21-22(13-19)26-15-17(14-25)23(21)28-10-8-16(9-11-28)24(29)27-18-4-3-5-20(12-18)31-2/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,27,29).
What are the key properties of 1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53113699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).