lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate

C15H8FLiN2O3 — CID 139035725

IUPAClithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate
SMILESO=C([O-])c1nc2cccc(F)c2c(=O)n1-c1ccccc1.[Li+]
InChIInChI=1S/C15H9FN2O3.Li/c16-10-7-4-8-11-12(10)14(19)18(13(17-11)15(20)21)9-5-2-1-3-6-9;/h1-8H,(H,20,21);/q;+1/p-1
InChIKeyFXSUXHZAPHLLOE-UHFFFAOYSA-M
MW290.18 g/mol
LogP-2.11
Rot. Bonds2

About lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate

lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate (PubChem CID 139035725) has the molecular formula C15H8FLiN2O3 and a molecular weight of 290.18 g/mol. Its IUPAC name is lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate.

Molecular Properties

Compound Namelithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate
PubChem CID139035725
Molecular FormulaC15H8FLiN2O3
Molecular Weight290.18 g/mol
Exact Mass290.07
IUPAC Namelithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate
SMILESO=C([O-])c1nc2cccc(F)c2c(=O)n1-c1ccccc1.[Li+]
InChIInChI=1S/C15H9FN2O3.Li/c16-10-7-4-8-11-12(10)14(19)18(13(17-11)15(20)21)9-5-2-1-3-6-9;/h1-8H,(H,20,21);/q;+1/p-1
InChIKeyFXSUXHZAPHLLOE-UHFFFAOYSA-M
XLogP-2.11
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 5-2.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
CID 144894826
2-(2-chlorophenyl)-5-fluoro-3-phenylquinazolin-4-one
CID 155671982
[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate
CID 121455170
[(2S)-2-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)-3,3-dimethylbutan-2-yl] carbamate
CID 122655078
5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one
CID 137463725
tert-butyl N-[4-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)butyl]carbamate
CID 137476613
tert-butyl N-[(1S)-1-deuterio-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamate
CID 140814473
lithium 2-fluorobenzoate
CID 19205780
5-fluoro-2-[(1S)-1-(1H-indol-4-ylamino)propyl]-3-phenylquinazolin-4-one
CID 129166392
5-chloro-2-[1-[(5-fluoroquinazolin-4-yl)amino]propyl]-3-phenylquinazolin-4-one
CID 155191460
methyl 2-methylsulfanyl-4-oxo-3-phenylquinazoline-5-carboxylate
CID 23276189
5-fluoro-2-[1,2,2,3,3,3-hexahydroxy-1-[(8-oxo-7,9-dihydropurin-6-yl)amino]propyl]-3-phenylquinazolin-4-one
CID 129126439

Frequently Asked Questions

What is the IUPAC name of lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate?
The IUPAC name of lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate (CID 139035725) is lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate.
What is the SMILES notation for lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate?
The canonical SMILES for lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate is O=C([O-])c1nc2cccc(F)c2c(=O)n1-c1ccccc1.[Li+].
What is the InChIKey of lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate?
The InChIKey is FXSUXHZAPHLLOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H9FN2O3.Li/c16-10-7-4-8-11-12(10)14(19)18(13(17-11)15(20)21)9-5-2-1-3-6-9;/h1-8H,(H,20,21);/q;+1/p-1.
What are the key properties of lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate?
lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate has a molecular weight of 290.18 g/mol, XLogP of -2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate is sourced from PubChem (CID 139035725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).