N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine

C19H20N4S — CID 6217577

IUPACN-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine
SMILESC(=N\Nc1ccc2ccccc2n1)\c1ccc(N2CCCCC2)s1
InChIInChI=1S/C19H20N4S/c1-4-12-23(13-5-1)19-11-9-16(24-19)14-20-22-18-10-8-15-6-2-3-7-17(15)21-18/h2-3,6-11,14H,1,4-5,12-13H2,(H,21,22)/b20-14-
InChIKeyGCBHEYGRKCMGAG-ZHZULCJRSA-N
MW336.46 g/mol
LogP4.73
Rot. Bonds4

About N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine

N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine (PubChem CID 6217577) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine
PubChem CID6217577
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC NameN-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine
SMILESC(=N\Nc1ccc2ccccc2n1)\c1ccc(N2CCCCC2)s1
InChIInChI=1S/C19H20N4S/c1-4-12-23(13-5-1)19-11-9-16(24-19)14-20-22-18-10-8-15-6-2-3-7-17(15)21-18/h2-3,6-11,14H,1,4-5,12-13H2,(H,21,22)/b20-14-
InChIKeyGCBHEYGRKCMGAG-ZHZULCJRSA-N
XLogP4.73
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine?
The IUPAC name of N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine (CID 6217577) is N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine.
What is the SMILES notation for N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine?
The canonical SMILES for N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine is C(=N\Nc1ccc2ccccc2n1)\c1ccc(N2CCCCC2)s1.
What is the InChIKey of N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine?
The InChIKey is GCBHEYGRKCMGAG-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H20N4S/c1-4-12-23(13-5-1)19-11-9-16(24-19)14-20-22-18-10-8-15-6-2-3-7-17(15)21-18/h2-3,6-11,14H,1,4-5,12-13H2,(H,21,22)/b20-14-.
What are the key properties of N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine?
N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine has a molecular weight of 336.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine is sourced from PubChem (CID 6217577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).