6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one

C18H23N3O3 — CID 645642

IUPAC6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]cc(C(=O)N3CCN(CC)CC3)c(=O)c2c1
InChIInChI=1S/C18H23N3O3/c1-3-20-7-9-21(10-8-20)18(23)15-12-19-16-6-5-13(24-4-2)11-14(16)17(15)22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyVXTOGCZJNJSMRA-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.70
Rot. Bonds4

About 6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one

6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one (PubChem CID 645642) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one
PubChem CID645642
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]cc(C(=O)N3CCN(CC)CC3)c(=O)c2c1
InChIInChI=1S/C18H23N3O3/c1-3-20-7-9-21(10-8-20)18(23)15-12-19-16-6-5-13(24-4-2)11-14(16)17(15)22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyVXTOGCZJNJSMRA-UHFFFAOYSA-N
XLogP1.70
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one?
The IUPAC name of 6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one (CID 645642) is 6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one?
The canonical SMILES for 6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one is CCOc1ccc2[nH]cc(C(=O)N3CCN(CC)CC3)c(=O)c2c1.
What is the InChIKey of 6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one?
The InChIKey is VXTOGCZJNJSMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-20-7-9-21(10-8-20)18(23)15-12-19-16-6-5-13(24-4-2)11-14(16)17(15)22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22).
What are the key properties of 6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one?
6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one has a molecular weight of 329.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(4-ethylpiperazine-1-carbonyl)-1H-quinolin-4-one is sourced from PubChem (CID 645642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).