2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile

C19H25N5 — CID 96528544

IUPAC2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile
SMILESCCN1CCN([C@@H](C)CNc2cc(C#N)c3ccccc3n2)CC1
InChIInChI=1S/C19H25N5/c1-3-23-8-10-24(11-9-23)15(2)14-21-19-12-16(13-20)17-6-4-5-7-18(17)22-19/h4-7,12,15H,3,8-11,14H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyNWONEJNWVPWWHR-HNNXBMFYSA-N
MW323.44 g/mol
LogP2.54
Rot. Bonds5

About 2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile

2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile (PubChem CID 96528544) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile
PubChem CID96528544
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile
SMILESCCN1CCN([C@@H](C)CNc2cc(C#N)c3ccccc3n2)CC1
InChIInChI=1S/C19H25N5/c1-3-23-8-10-24(11-9-23)15(2)14-21-19-12-16(13-20)17-6-4-5-7-18(17)22-19/h4-7,12,15H,3,8-11,14H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyNWONEJNWVPWWHR-HNNXBMFYSA-N
XLogP2.54
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile (CID 96528544) is 2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile is CCN1CCN([C@@H](C)CNc2cc(C#N)c3ccccc3n2)CC1.
What is the InChIKey of 2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile?
The InChIKey is NWONEJNWVPWWHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5/c1-3-23-8-10-24(11-9-23)15(2)14-21-19-12-16(13-20)17-6-4-5-7-18(17)22-19/h4-7,12,15H,3,8-11,14H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile?
2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile has a molecular weight of 323.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile is sourced from PubChem (CID 96528544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).