methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate

C17H15N3O3 — CID 70076203

IUPACmethyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)c(Nc2ccccc2)cc2cccnc21
InChIInChI=1S/C17H15N3O3/c1-23-15(21)11-20-16-12(6-5-9-18-16)10-14(17(20)22)19-13-7-3-2-4-8-13/h2-10,19H,11H2,1H3
InChIKeyORXYLCLEIFOYFJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.31
Rot. Bonds4

About methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate

methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate (PubChem CID 70076203) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate
PubChem CID70076203
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)c(Nc2ccccc2)cc2cccnc21
InChIInChI=1S/C17H15N3O3/c1-23-15(21)11-20-16-12(6-5-9-18-16)10-14(17(20)22)19-13-7-3-2-4-8-13/h2-10,19H,11H2,1H3
InChIKeyORXYLCLEIFOYFJ-UHFFFAOYSA-N
XLogP2.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-benzyl-2,4-dioxopteridin-1-yl)acetate
CID 95917303
2-[(1-ethyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]benzenethiolate
CID 135782783
1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one
CID 139602460
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 46962960
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620106
1-benzyl-2-oxo-N-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 7620300
1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250
N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619926
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
2-[3-(2-methoxy-2-oxoethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 14721779
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate?
The IUPAC name of methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate (CID 70076203) is methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate is COC(=O)Cn1c(=O)c(Nc2ccccc2)cc2cccnc21.
What is the InChIKey of methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate?
The InChIKey is ORXYLCLEIFOYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-15(21)11-20-16-12(6-5-9-18-16)10-14(17(20)22)19-13-7-3-2-4-8-13/h2-10,19H,11H2,1H3.
What are the key properties of methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate?
methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate has a molecular weight of 309.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-anilino-2-oxo-1,8-naphthyridin-1-yl)acetate is sourced from PubChem (CID 70076203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).