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

C18H25N3O2 — CID 696565

IUPAC6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1
InChIInChI=1S/C18H25N3O2/c1-4-23-14-5-6-17-15(11-14)18(22)16(13(2)19-17)12-21-9-7-20(3)8-10-21/h5-6,11H,4,7-10,12H2,1-3H3,(H,19,22)
InChIKeyWIQWGPWVFUDJAP-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.98
Rot. Bonds4

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

6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one (PubChem CID 696565) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one
PubChem CID696565
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1
InChIInChI=1S/C18H25N3O2/c1-4-23-14-5-6-17-15(11-14)18(22)16(13(2)19-17)12-21-9-7-20(3)8-10-21/h5-6,11H,4,7-10,12H2,1-3H3,(H,19,22)
InChIKeyWIQWGPWVFUDJAP-UHFFFAOYSA-N
XLogP1.98
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one?
The IUPAC name of 6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one (CID 696565) is 6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one is CCOc1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1.
What is the InChIKey of 6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one?
The InChIKey is WIQWGPWVFUDJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-23-14-5-6-17-15(11-14)18(22)16(13(2)19-17)12-21-9-7-20(3)8-10-21/h5-6,11H,4,7-10,12H2,1-3H3,(H,19,22).
What are the key properties of 6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one?
6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one has a molecular weight of 315.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 696565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).