4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid

C20H20FN3O3 — CID 18523342

IUPAC4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c3ccc(F)c(N4CCCCC4)c3ncc21
InChIInChI=1S/C20H20FN3O3/c1-2-23-11-13(20(26)27)19(25)16-12-6-7-14(21)18(17(12)22-10-15(16)23)24-8-4-3-5-9-24/h6-7,10-11H,2-5,8-9H2,1H3,(H,26,27)
InChIKeyQHHQDYHSRDDXFA-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.40
Rot. Bonds3

About 4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid

4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid (PubChem CID 18523342) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
PubChem CID18523342
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c3ccc(F)c(N4CCCCC4)c3ncc21
InChIInChI=1S/C20H20FN3O3/c1-2-23-11-13(20(26)27)19(25)16-12-6-7-14(21)18(17(12)22-10-15(16)23)24-8-4-3-5-9-24/h6-7,10-11H,2-5,8-9H2,1H3,(H,26,27)
InChIKeyQHHQDYHSRDDXFA-UHFFFAOYSA-N
XLogP3.40
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CP 67015
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CID 142621095
AC1LA18U
CID 459803
1-[[5-(3-Aminophenyl)-2-pyridinyl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 44251609
8-Fluoro-4-oxo-1-[(6-phenyl-3-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 44477152
8-Fluoro-4-oxo-1-[(6-pyridin-3-yl-3-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 44477153
8-Fluoro-1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 44477154
5-Fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid
CID 46187842
8-Fluoro-4-oxo-1-[(5-phenyl-2-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 46224956

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
The IUPAC name of 4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid (CID 18523342) is 4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c3ccc(F)c(N4CCCCC4)c3ncc21.
What is the InChIKey of 4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
The InChIKey is QHHQDYHSRDDXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-2-23-11-13(20(26)27)19(25)16-12-6-7-14(21)18(17(12)22-10-15(16)23)24-8-4-3-5-9-24/h6-7,10-11H,2-5,8-9H2,1H3,(H,26,27).
What are the key properties of 4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid?
4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid has a molecular weight of 369.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-fluoro-1-oxo-7-piperidin-1-ylbenzo[f][1,7]naphthyridine-2-carboxylic acid is sourced from PubChem (CID 18523342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).