N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide

C24H25FN4OS — CID 133386277

IUPACN-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1
InChIInChI=1S/C24H25FN4OS/c1-3-8-29(24(30)21-5-4-11-31-21)19-6-9-28(10-7-19)23-17(14-26)15-27-22-16(2)12-18(25)13-20(22)23/h4-5,11-13,15,19H,3,6-10H2,1-2H3
InChIKeySTWBXBXXDSLQKN-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.14
Rot. Bonds5

About N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide

N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide (PubChem CID 133386277) has the molecular formula C24H25FN4OS and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
PubChem CID133386277
Molecular FormulaC24H25FN4OS
Molecular Weight436.56 g/mol
Exact Mass436.17
IUPAC NameN-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1
InChIInChI=1S/C24H25FN4OS/c1-3-8-29(24(30)21-5-4-11-31-21)19-6-9-28(10-7-19)23-17(14-26)15-27-22-16(2)12-18(25)13-20(22)23/h4-5,11-13,15,19H,3,6-10H2,1-2H3
InChIKeySTWBXBXXDSLQKN-UHFFFAOYSA-N
XLogP5.14
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133316889
6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 133317309
6,8-dimethyl-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile
CID 133342867
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133421368
6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133310198
N-(1-methylpiperidin-4-yl)-N-propylthiophene-2-carboxamide
CID 4231172
4-(4-but-3-ynylpiperazin-1-yl)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133453787
N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133306197
6-fluoro-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile
CID 133306222
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 120854150
N-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 124626949
6-fluoro-8-methyl-4-(3-methylsulfanylazepan-1-yl)quinoline-3-carbonitrile
CID 133395040

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide (CID 133386277) is N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cccs1)C1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1.
What is the InChIKey of N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The InChIKey is STWBXBXXDSLQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4OS/c1-3-8-29(24(30)21-5-4-11-31-21)19-6-9-28(10-7-19)23-17(14-26)15-27-22-16(2)12-18(25)13-20(22)23/h4-5,11-13,15,19H,3,6-10H2,1-2H3.
What are the key properties of N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 133386277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).