1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid

C19H17FN2O3 — CID 22106066

IUPAC1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCCCn1c(=O)c(C(=O)O)c(-c2cccc(F)c2)c2cccnc21
InChIInChI=1S/C19H17FN2O3/c1-2-3-10-22-17-14(8-5-9-21-17)15(16(18(22)23)19(24)25)12-6-4-7-13(20)11-12/h4-9,11H,2-3,10H2,1H3,(H,24,25)
InChIKeyDHYHNZZYYSLTSC-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.70
Rot. Bonds5

About 1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid

1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 22106066) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID22106066
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCCCn1c(=O)c(C(=O)O)c(-c2cccc(F)c2)c2cccnc21
InChIInChI=1S/C19H17FN2O3/c1-2-3-10-22-17-14(8-5-9-21-17)15(16(18(22)23)19(24)25)12-6-4-7-13(20)11-12/h4-9,11H,2-3,10H2,1H3,(H,24,25)
InChIKeyDHYHNZZYYSLTSC-UHFFFAOYSA-N
XLogP3.70
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 22106066) is 1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is CCCCn1c(=O)c(C(=O)O)c(-c2cccc(F)c2)c2cccnc21.
What is the InChIKey of 1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is DHYHNZZYYSLTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-2-3-10-22-17-14(8-5-9-21-17)15(16(18(22)23)19(24)25)12-6-4-7-13(20)11-12/h4-9,11H,2-3,10H2,1H3,(H,24,25).
What are the key properties of 1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 340.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 22106066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).