2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid

C17H15N3O4 — CID 139946730

IUPAC2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid
SMILESCOc1cccc(-c2c(N)c(=O)n(CC(=O)O)c3ncccc23)c1
InChIInChI=1S/C17H15N3O4/c1-24-11-5-2-4-10(8-11)14-12-6-3-7-19-16(12)20(9-13(21)22)17(23)15(14)18/h2-8H,9,18H2,1H3,(H,21,22)
InChIKeyPIBZABREGQKHFI-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.74
Rot. Bonds4

About 2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid

2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid (PubChem CID 139946730) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid
PubChem CID139946730
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid
SMILESCOc1cccc(-c2c(N)c(=O)n(CC(=O)O)c3ncccc23)c1
InChIInChI=1S/C17H15N3O4/c1-24-11-5-2-4-10(8-11)14-12-6-3-7-19-16(12)20(9-13(21)22)17(23)15(14)18/h2-8H,9,18H2,1H3,(H,21,22)
InChIKeyPIBZABREGQKHFI-UHFFFAOYSA-N
XLogP1.74
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate
CID 139924711
1-[2,6-di(propan-2-yl)phenyl]-3-[1-ethyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22106237
1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea
CID 174327888
1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-(2,4,6-trimethoxyphenyl)urea
CID 139946697
2-[4-amino-6-(3-methoxyphenyl)-8-methylpyrimido[4,5-b]indol-9-yl]acetic acid
CID 156876772
2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768004
1-butyl-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22106230
2-[5-amino-4-formyl-3-(3-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 82360578
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]urea
CID 18467086
N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide
CID 22106238
1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22106152
N-[(3-methoxyphenyl)methyl]-2-(7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53149136

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid?
The IUPAC name of 2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid (CID 139946730) is 2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid?
The canonical SMILES for 2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid is COc1cccc(-c2c(N)c(=O)n(CC(=O)O)c3ncccc23)c1.
What is the InChIKey of 2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid?
The InChIKey is PIBZABREGQKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-11-5-2-4-10(8-11)14-12-6-3-7-19-16(12)20(9-13(21)22)17(23)15(14)18/h2-8H,9,18H2,1H3,(H,21,22).
What are the key properties of 2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid?
2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid has a molecular weight of 325.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid is sourced from PubChem (CID 139946730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).