1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C18H22N4O3 — CID 15097889

IUPAC1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(/C=C/N3CCN(C)CC3)nc21
InChIInChI=1S/C18H22N4O3/c1-3-22-12-15(18(24)25)16(23)14-5-4-13(19-17(14)22)6-7-21-10-8-20(2)9-11-21/h4-7,12H,3,8-11H2,1-2H3,(H,24,25)/b7-6+
InChIKeyYUWPTFXDVQLDED-VOTSOKGWSA-N
MW342.40 g/mol
LogP1.33
Rot. Bonds4

About 1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 15097889) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID15097889
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(/C=C/N3CCN(C)CC3)nc21
InChIInChI=1S/C18H22N4O3/c1-3-22-12-15(18(24)25)16(23)14-5-4-13(19-17(14)22)6-7-21-10-8-20(2)9-11-21/h4-7,12H,3,8-11H2,1-2H3,(H,24,25)/b7-6+
InChIKeyYUWPTFXDVQLDED-VOTSOKGWSA-N
XLogP1.33
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 15097889) is 1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2ccc(/C=C/N3CCN(C)CC3)nc21.
What is the InChIKey of 1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YUWPTFXDVQLDED-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-22-12-15(18(24)25)16(23)14-5-4-13(19-17(14)22)6-7-21-10-8-20(2)9-11-21/h4-7,12H,3,8-11H2,1-2H3,(H,24,25)/b7-6+.
What are the key properties of 1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 15097889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).