7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one

C18H26N4O2 — CID 22427120

IUPAC7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCN1CCN(C(=O)c2ccc3c(c2)NC(=O)C(C(C)C)N3)CC1
InChIInChI=1S/C18H26N4O2/c1-4-21-7-9-22(10-8-21)18(24)13-5-6-14-15(11-13)20-17(23)16(19-14)12(2)3/h5-6,11-12,16,19H,4,7-10H2,1-3H3,(H,20,23)
InChIKeyDWUIJBMKLOBALS-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.85
Rot. Bonds3

About 7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one

7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 22427120) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID22427120
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCN1CCN(C(=O)c2ccc3c(c2)NC(=O)C(C(C)C)N3)CC1
InChIInChI=1S/C18H26N4O2/c1-4-21-7-9-22(10-8-21)18(24)13-5-6-14-15(11-13)20-17(23)16(19-14)12(2)3/h5-6,11-12,16,19H,4,7-10H2,1-3H3,(H,20,23)
InChIKeyDWUIJBMKLOBALS-UHFFFAOYSA-N
XLogP1.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one (CID 22427120) is 7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one is CCN1CCN(C(=O)c2ccc3c(c2)NC(=O)C(C(C)C)N3)CC1.
What is the InChIKey of 7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is DWUIJBMKLOBALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-21-7-9-22(10-8-21)18(24)13-5-6-14-15(11-13)20-17(23)16(19-14)12(2)3/h5-6,11-12,16,19H,4,7-10H2,1-3H3,(H,20,23).
What are the key properties of 7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 22427120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).