ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate

C17H22N4O3 — CID 12818610

IUPACethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C)CC2)c2cccnc2n(C)c1=O
InChIInChI=1S/C17H22N4O3/c1-4-24-17(23)13-14(21-10-8-19(2)9-11-21)12-6-5-7-18-15(12)20(3)16(13)22/h5-7H,4,8-11H2,1-3H3
InChIKeyZKUQBCMQRFPHKY-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.86
Rot. Bonds3

About ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 12818610) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID12818610
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nameethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C)CC2)c2cccnc2n(C)c1=O
InChIInChI=1S/C17H22N4O3/c1-4-24-17(23)13-14(21-10-8-19(2)9-11-21)12-6-5-7-18-15(12)20(3)16(13)22/h5-7H,4,8-11H2,1-3H3
InChIKeyZKUQBCMQRFPHKY-UHFFFAOYSA-N
XLogP0.86
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate (CID 12818610) is ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N2CCN(C)CC2)c2cccnc2n(C)c1=O.
What is the InChIKey of ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is ZKUQBCMQRFPHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-24-17(23)13-14(21-10-8-19(2)9-11-21)12-6-5-7-18-15(12)20(3)16(13)22/h5-7H,4,8-11H2,1-3H3.
What are the key properties of ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).