7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione

C18H13F3N2O3 — CID 141247186

IUPAC7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione
SMILESO=C1CCC2(CC2)C(=O)C1C(=O)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)14-10(8-9-2-1-7-22-16(9)23-14)13(25)12-11(24)3-4-17(5-6-17)15(12)26/h1-2,7-8,12H,3-6H2
InChIKeySXGQIZGJPWCHFS-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.16
Rot. Bonds2

About 7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione

7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione (PubChem CID 141247186) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is 7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione.

Molecular Properties

Compound Name7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione
PubChem CID141247186
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione
SMILESO=C1CCC2(CC2)C(=O)C1C(=O)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)14-10(8-9-2-1-7-22-16(9)23-14)13(25)12-11(24)3-4-17(5-6-17)15(12)26/h1-2,7-8,12H,3-6H2
InChIKeySXGQIZGJPWCHFS-UHFFFAOYSA-N
XLogP3.16
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247172
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
6-[7-ethoxy-2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
CID 66601995
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 135529797
N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 10835803
2-[6-fluoro-7-(3-methoxyazetidin-1-yl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247208
2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
CID 123276386
2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247193
[4-[2-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone
CID 11456392
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 155942020
2-[8-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-oxo-2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247217
2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908391

Frequently Asked Questions

What is the IUPAC name of 7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione?
The IUPAC name of 7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione (CID 141247186) is 7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione.
What is the SMILES notation for 7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione?
The canonical SMILES for 7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione is O=C1CCC2(CC2)C(=O)C1C(=O)c1cc2cccnc2nc1C(F)(F)F.
What is the InChIKey of 7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione?
The InChIKey is SXGQIZGJPWCHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c19-18(20,21)14-10(8-9-2-1-7-22-16(9)23-14)13(25)12-11(24)3-4-17(5-6-17)15(12)26/h1-2,7-8,12H,3-6H2.
What are the key properties of 7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione?
7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione has a molecular weight of 362.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione is sourced from PubChem (CID 141247186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).