4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one

C16H20N3O2+ — CID 2394404

IUPAC4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one
SMILESCC[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C16H19N3O2/c1-2-18-7-9-19(10-8-18)16(21)13-11-15(20)17-14-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3,(H,17,20)/p+1
InChIKeyLXMSYGTWPACENX-UHFFFAOYSA-O
MW286.35 g/mol
LogP-0.11
Rot. Bonds2

About 4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one

4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one (PubChem CID 2394404) has the molecular formula C16H20N3O2+ and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one
PubChem CID2394404
Molecular FormulaC16H20N3O2+
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one
SMILESCC[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C16H19N3O2/c1-2-18-7-9-19(10-8-18)16(21)13-11-15(20)17-14-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3,(H,17,20)/p+1
InChIKeyLXMSYGTWPACENX-UHFFFAOYSA-O
XLogP-0.11
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one (CID 2394404) is 4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one is CC[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one?
The InChIKey is LXMSYGTWPACENX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19N3O2/c1-2-18-7-9-19(10-8-18)16(21)13-11-15(20)17-14-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3,(H,17,20)/p+1.
What are the key properties of 4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one?
4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one has a molecular weight of 286.35 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 2394404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).