1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C14H15FN2O3 — CID 59439208

IUPAC1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1nc2c(cc1F)c(=O)c(C(=O)O)cn2C(C)(C)C
InChIInChI=1S/C14H15FN2O3/c1-7-10(15)5-8-11(18)9(13(19)20)6-17(12(8)16-7)14(2,3)4/h5-6H,1-4H3,(H,19,20)
InChIKeyPDBJKGHZGKZJQC-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.30
Rot. Bonds1

About 1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 59439208) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID59439208
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1nc2c(cc1F)c(=O)c(C(=O)O)cn2C(C)(C)C
InChIInChI=1S/C14H15FN2O3/c1-7-10(15)5-8-11(18)9(13(19)20)6-17(12(8)16-7)14(2,3)4/h5-6H,1-4H3,(H,19,20)
InChIKeyPDBJKGHZGKZJQC-UHFFFAOYSA-N
XLogP2.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

sodium 1-tert-butyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 45028410
7-(3-amino-2-methylazetidin-1-yl)-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 15189052
7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10450409
1-tert-butyl-6-fluoro-7-[(2R,3S)-2-methyl-3-(methylamino)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54204524
1-tert-butyl-7-[(1S,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 14612516
7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
CID 3072819
7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54148576
7-[(1R,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22862072
1-tert-butyl-7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 23125664
1-tert-butyl-6-fluoro-4-oxo-7-phenylquinoline-3-carboxylic acid
CID 71588144
1-tert-butyl-6-fluoro-7-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 71588152
1-tert-butyl-7-(4-chlorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 71588148

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 59439208) is 1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1nc2c(cc1F)c(=O)c(C(=O)O)cn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is PDBJKGHZGKZJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-7-10(15)5-8-11(18)9(13(19)20)6-17(12(8)16-7)14(2,3)4/h5-6H,1-4H3,(H,19,20).
What are the key properties of 1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 278.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 59439208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).