6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one

C19H27N3O2 — CID 832288

IUPAC6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)c(CN3CCN(CC)CC3)c(=O)c2c1
InChIInChI=1S/C19H27N3O2/c1-4-21-8-10-22(11-9-21)13-17-14(3)20-18-7-6-15(24-5-2)12-16(18)19(17)23/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,23)
InChIKeyHJHREIVXNSLCQG-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.37
Rot. Bonds5

About 6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one

6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one (PubChem CID 832288) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one
PubChem CID832288
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)c(CN3CCN(CC)CC3)c(=O)c2c1
InChIInChI=1S/C19H27N3O2/c1-4-21-8-10-22(11-9-21)13-17-14(3)20-18-7-6-15(24-5-2)12-16(18)19(17)23/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,23)
InChIKeyHJHREIVXNSLCQG-UHFFFAOYSA-N
XLogP2.37
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.37
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-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one (CID 832288) is 6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one is CCOc1ccc2[nH]c(C)c(CN3CCN(CC)CC3)c(=O)c2c1.
What is the InChIKey of 6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one?
The InChIKey is HJHREIVXNSLCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-21-8-10-22(11-9-21)13-17-14(3)20-18-7-6-15(24-5-2)12-16(18)19(17)23/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,23).
What are the key properties of 6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one?
6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one has a molecular weight of 329.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 832288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).