N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide

C22H26N4OS — CID 119106749

IUPACN-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNCc1cc2ccccc2nc1N1CCCCC1)c1cccs1
InChIInChI=1S/C22H26N4OS/c27-22(20-9-6-14-28-20)24-11-10-23-16-18-15-17-7-2-3-8-19(17)25-21(18)26-12-4-1-5-13-26/h2-3,6-9,14-15,23H,1,4-5,10-13,16H2,(H,24,27)
InChIKeyMQBRCMPECSFMMU-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.81
Rot. Bonds7

About N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide

N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide (PubChem CID 119106749) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide
PubChem CID119106749
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNCc1cc2ccccc2nc1N1CCCCC1)c1cccs1
InChIInChI=1S/C22H26N4OS/c27-22(20-9-6-14-28-20)24-11-10-23-16-18-15-17-7-2-3-8-19(17)25-21(18)26-12-4-1-5-13-26/h2-3,6-9,14-15,23H,1,4-5,10-13,16H2,(H,24,27)
InChIKeyMQBRCMPECSFMMU-UHFFFAOYSA-N
XLogP3.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol
CID 146125966
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
2-(azocan-1-yl)-3-(bromomethyl)quinoline
CID 107079697
N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 26347373
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122318073
N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 47037132
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 119106720
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 2952427
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 24660504

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide (CID 119106749) is N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide is O=C(NCCNCc1cc2ccccc2nc1N1CCCCC1)c1cccs1.
What is the InChIKey of N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is MQBRCMPECSFMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c27-22(20-9-6-14-28-20)24-11-10-23-16-18-15-17-7-2-3-8-19(17)25-21(18)26-12-4-1-5-13-26/h2-3,6-9,14-15,23H,1,4-5,10-13,16H2,(H,24,27).
What are the key properties of N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide?
N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 119106749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).