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

C20H20N2O4 — CID 18467163

IUPAC1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCCCn1c(=O)c(C(=O)O)c(-c2ccc(OC)cc2)c2cccnc21
InChIInChI=1S/C20H20N2O4/c1-3-4-12-22-18-15(6-5-11-21-18)16(17(19(22)23)20(24)25)13-7-9-14(26-2)10-8-13/h5-11H,3-4,12H2,1-2H3,(H,24,25)
InChIKeyXVOIRVSJHSWWCO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.57
Rot. Bonds6

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

1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 18467163) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID18467163
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCCCn1c(=O)c(C(=O)O)c(-c2ccc(OC)cc2)c2cccnc21
InChIInChI=1S/C20H20N2O4/c1-3-4-12-22-18-15(6-5-11-21-18)16(17(19(22)23)20(24)25)13-7-9-14(26-2)10-8-13/h5-11H,3-4,12H2,1-2H3,(H,24,25)
InChIKeyXVOIRVSJHSWWCO-UHFFFAOYSA-N
XLogP3.57
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 18467163) is 1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is CCCCn1c(=O)c(C(=O)O)c(-c2ccc(OC)cc2)c2cccnc21.
What is the InChIKey of 1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is XVOIRVSJHSWWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-4-12-22-18-15(6-5-11-21-18)16(17(19(22)23)20(24)25)13-7-9-14(26-2)10-8-13/h5-11H,3-4,12H2,1-2H3,(H,24,25).
What are the key properties of 1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 18467163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).