1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone

C17H23N5O — CID 127043526

IUPAC1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1
InChIInChI=1S/C17H23N5O/c1-13(23)21-8-10-22(11-9-21)17-12-16(19-7-6-18)14-4-2-3-5-15(14)20-17/h2-5,12H,6-11,18H2,1H3,(H,19,20)
InChIKeyVRRYEHRLKHOEMW-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.27
Rot. Bonds4

About 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone (PubChem CID 127043526) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone
PubChem CID127043526
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1
InChIInChI=1S/C17H23N5O/c1-13(23)21-8-10-22(11-9-21)17-12-16(19-7-6-18)14-4-2-3-5-15(14)20-17/h2-5,12H,6-11,18H2,1H3,(H,19,20)
InChIKeyVRRYEHRLKHOEMW-UHFFFAOYSA-N
XLogP1.27
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone (CID 127043526) is 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1.
What is the InChIKey of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is VRRYEHRLKHOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(23)21-8-10-22(11-9-21)17-12-16(19-7-6-18)14-4-2-3-5-15(14)20-17/h2-5,12H,6-11,18H2,1H3,(H,19,20).
What are the key properties of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 313.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 127043526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).