6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid

C27H25N3O6 — CID 11306323

IUPAC6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)c(=O)c3cc4c(nc32)N(C)CC(c2ccccc2)O4)c(OC)c1
InChIInChI=1S/C27H25N3O6/c1-29-15-23(16-7-5-4-6-8-16)36-22-12-19-24(31)20(27(32)33)14-30(25(19)28-26(22)29)13-17-9-10-18(34-2)11-21(17)35-3/h4-12,14,23H,13,15H2,1-3H3,(H,32,33)
InChIKeyDVEGELNVGOZWLQ-UHFFFAOYSA-N
MW487.51 g/mol
LogP3.73
Rot. Bonds6

About 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid

6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid (PubChem CID 11306323) has the molecular formula C27H25N3O6 and a molecular weight of 487.51 g/mol. Its IUPAC name is 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
PubChem CID11306323
Molecular FormulaC27H25N3O6
Molecular Weight487.51 g/mol
Exact Mass487.17
IUPAC Name6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)c(=O)c3cc4c(nc32)N(C)CC(c2ccccc2)O4)c(OC)c1
InChIInChI=1S/C27H25N3O6/c1-29-15-23(16-7-5-4-6-8-16)36-22-12-19-24(31)20(27(32)33)14-30(25(19)28-26(22)29)13-17-9-10-18(34-2)11-21(17)35-3/h4-12,14,23H,13,15H2,1-3H3,(H,32,33)
InChIKeyDVEGELNVGOZWLQ-UHFFFAOYSA-N
XLogP3.73
TPSA103.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid with MolForge

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-7-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11843542
(15S)-7-[(2,4-dimethoxyphenyl)methyl]-4-oxo-7,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 69030578
7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67275247
7-[3-[4-(diaminomethylideneamino)butylamino]pyrrolidin-1-yl]-1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10076370
ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11844091
tert-butyl N-[(3S)-1-[6-carbamoyl-8-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate
CID 67275409
1-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-6-fluoro-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67275264
1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid
CID 123329362
7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methylsulfanylphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67275956
(3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680344
(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680349
3-(bromomethyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 141351917

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
The IUPAC name of 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid (CID 11306323) is 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
The canonical SMILES for 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid is COc1ccc(Cn2cc(C(=O)O)c(=O)c3cc4c(nc32)N(C)CC(c2ccccc2)O4)c(OC)c1.
What is the InChIKey of 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
The InChIKey is DVEGELNVGOZWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6/c1-29-15-23(16-7-5-4-6-8-16)36-22-12-19-24(31)20(27(32)33)14-30(25(19)28-26(22)29)13-17-9-10-18(34-2)11-21(17)35-3/h4-12,14,23H,13,15H2,1-3H3,(H,32,33).
What are the key properties of 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid has a molecular weight of 487.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethoxyphenyl)methyl]-4-methyl-9-oxo-2-phenyl-2,3-dihydro-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 11306323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).