[3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate

C21H22N2O4 — CID 14221963

IUPAC[3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate
SMILESCCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C21H22N2O4/c1-4-5-7-18-19(27-14(2)24)17-8-6-13-22-20(17)23(21(18)25)15-9-11-16(26-3)12-10-15/h6,8-13H,4-5,7H2,1-3H3
InChIKeyNQKQMDHWDKADJP-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.66
Rot. Bonds6

About [3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate

[3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate (PubChem CID 14221963) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate.

Molecular Properties

Compound Name[3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate
PubChem CID14221963
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate
SMILESCCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C21H22N2O4/c1-4-5-7-18-19(27-14(2)24)17-8-6-13-22-20(17)23(21(18)25)15-9-11-16(26-3)12-10-15/h6,8-13H,4-5,7H2,1-3H3
InChIKeyNQKQMDHWDKADJP-UHFFFAOYSA-N
XLogP3.66
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate?
The IUPAC name of [3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate (CID 14221963) is [3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate.
What is the SMILES notation for [3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate?
The canonical SMILES for [3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate is CCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OC)cc2)c1=O.
What is the InChIKey of [3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate?
The InChIKey is NQKQMDHWDKADJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-4-5-7-18-19(27-14(2)24)17-8-6-13-22-20(17)23(21(18)25)15-9-11-16(26-3)12-10-15/h6,8-13H,4-5,7H2,1-3H3.
What are the key properties of [3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate?
[3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate has a molecular weight of 366.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate is sourced from PubChem (CID 14221963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).