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

C19H27N5O — CID 127043527

IUPAC1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1
InChIInChI=1S/C19H27N5O/c1-14(2)19(25)24-11-9-23(10-12-24)18-13-17(21-8-7-20)15-5-3-4-6-16(15)22-18/h3-6,13-14H,7-12,20H2,1-2H3,(H,21,22)
InChIKeyFBSHRTZQTFIVLO-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.91
Rot. Bonds5

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

1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 127043527) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID127043527
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1
InChIInChI=1S/C19H27N5O/c1-14(2)19(25)24-11-9-23(10-12-24)18-13-17(21-8-7-20)15-5-3-4-6-16(15)22-18/h3-6,13-14H,7-12,20H2,1-2H3,(H,21,22)
InChIKeyFBSHRTZQTFIVLO-UHFFFAOYSA-N
XLogP1.91
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.91
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]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one (CID 127043527) is 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1.
What is the InChIKey of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is FBSHRTZQTFIVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)19(25)24-11-9-23(10-12-24)18-13-17(21-8-7-20)15-5-3-4-6-16(15)22-18/h3-6,13-14H,7-12,20H2,1-2H3,(H,21,22).
What are the key properties of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 341.46 g/mol, XLogP of 1.91, 5 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]-2-methylpropan-1-one is sourced from PubChem (CID 127043527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).