1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine

C23H30N4O — CID 119106594

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine
SMILESCN(C)C(CNCc1cc2ccccc2nc1N1CCCCC1)c1ccco1
InChIInChI=1S/C23H30N4O/c1-26(2)21(22-11-8-14-28-22)17-24-16-19-15-18-9-4-5-10-20(18)25-23(19)27-12-6-3-7-13-27/h4-5,8-11,14-15,21,24H,3,6-7,12-13,16-17H2,1-2H3
InChIKeyJAABTOORPWLEMR-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.21
Rot. Bonds7

About 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine (PubChem CID 119106594) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine
PubChem CID119106594
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine
SMILESCN(C)C(CNCc1cc2ccccc2nc1N1CCCCC1)c1ccco1
InChIInChI=1S/C23H30N4O/c1-26(2)21(22-11-8-14-28-22)17-24-16-19-15-18-9-4-5-10-20(18)25-23(19)27-12-6-3-7-13-27/h4-5,8-11,14-15,21,24H,3,6-7,12-13,16-17H2,1-2H3
InChIKeyJAABTOORPWLEMR-UHFFFAOYSA-N
XLogP4.21
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine (CID 119106594) is 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine is CN(C)C(CNCc1cc2ccccc2nc1N1CCCCC1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is JAABTOORPWLEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-26(2)21(22-11-8-14-28-22)17-24-16-19-15-18-9-4-5-10-20(18)25-23(19)27-12-6-3-7-13-27/h4-5,8-11,14-15,21,24H,3,6-7,12-13,16-17H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 378.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 119106594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).