naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate

C25H23FN4O3 — CID 25228872

IUPACnaphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)Oc2ccc3ccccc3c2)c(=O)c2cc(F)c(N3CCNCC3)nc21
InChIInChI=1S/C25H23FN4O3/c1-2-29-15-20(25(32)33-18-8-7-16-5-3-4-6-17(16)13-18)22(31)19-14-21(26)24(28-23(19)29)30-11-9-27-10-12-30/h3-8,13-15,27H,2,9-12H2,1H3
InChIKeyVJQIJQYPLOMGQA-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.34
Rot. Bonds4

About naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate

naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 25228872) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
PubChem CID25228872
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Namenaphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)Oc2ccc3ccccc3c2)c(=O)c2cc(F)c(N3CCNCC3)nc21
InChIInChI=1S/C25H23FN4O3/c1-2-29-15-20(25(32)33-18-8-7-16-5-3-4-6-17(16)13-18)22(31)19-14-21(26)24(28-23(19)29)30-11-9-27-10-12-30/h3-8,13-15,27H,2,9-12H2,1H3
InChIKeyVJQIJQYPLOMGQA-UHFFFAOYSA-N
XLogP3.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-ethyl-6-fluoro-3-[3-(4-hydroxyphenyl)prop-2-enoyl]-7-piperazin-1-yl-1,8-naphthyridin-4-one
CID 175146812
[2-azido-1-(1-azidopropan-2-yloxycarbonyloxy)ethyl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 122662187
1-ethyl-6-fluoro-4-oxo-7-(4-phenylmethoxycarbonylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
CID 122676814
ethane;1-ethyl-6-fluoro-7-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142486835
6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 3057924
ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529
ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192
7-(3-amino-3-methylazetidin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10336126
ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 14664850
7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one
CID 175119351
(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 70563744
6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 14041766

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate (CID 25228872) is naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)Oc2ccc3ccccc3c2)c(=O)c2cc(F)c(N3CCNCC3)nc21.
What is the InChIKey of naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is VJQIJQYPLOMGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-2-29-15-20(25(32)33-18-8-7-16-5-3-4-6-17(16)13-18)22(31)19-14-21(26)24(28-23(19)29)30-11-9-27-10-12-30/h3-8,13-15,27H,2,9-12H2,1H3.
What are the key properties of naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 446.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 25228872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).