[7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate

C19H19N3O6 — CID 122512388

IUPAC[7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ncc2c(=O)n(Cc3ccc(OC)cc3OC)ccc2c1O
InChIInChI=1S/C19H19N3O6/c1-20-19(25)28-17-16(23)13-6-7-22(18(24)14(13)9-21-17)10-11-4-5-12(26-2)8-15(11)27-3/h4-9,23H,10H2,1-3H3,(H,20,25)
InChIKeyNDGMROGJULHIHI-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.89
Rot. Bonds5

About [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate

[7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate (PubChem CID 122512388) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate.

Molecular Properties

Compound Name[7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate
PubChem CID122512388
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name[7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ncc2c(=O)n(Cc3ccc(OC)cc3OC)ccc2c1O
InChIInChI=1S/C19H19N3O6/c1-20-19(25)28-17-16(23)13-6-7-22(18(24)14(13)9-21-17)10-11-4-5-12(26-2)8-15(11)27-3/h4-9,23H,10H2,1-3H3,(H,20,25)
InChIKeyNDGMROGJULHIHI-UHFFFAOYSA-N
XLogP1.89
TPSA111.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate with MolForge

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Related Compounds

3-[[7-[2-(2,4-dimethoxyphenyl)ethyl]-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl]amino]propanoic acid
CID 174713284
1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid
CID 123329362
3-(bromomethyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 141351917
7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one
CID 171795802
3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide
CID 91005120
1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 66149526
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
CID 162772120
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-[(2,4-dimethoxyphenyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 87039141

Frequently Asked Questions

What is the IUPAC name of [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate?
The IUPAC name of [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate (CID 122512388) is [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate.
What is the SMILES notation for [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate?
The canonical SMILES for [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate is CNC(=O)Oc1ncc2c(=O)n(Cc3ccc(OC)cc3OC)ccc2c1O.
What is the InChIKey of [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate?
The InChIKey is NDGMROGJULHIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-20-19(25)28-17-16(23)13-6-7-22(18(24)14(13)9-21-17)10-11-4-5-12(26-2)8-15(11)27-3/h4-9,23H,10H2,1-3H3,(H,20,25).
What are the key properties of [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate?
[7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate has a molecular weight of 385.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate is sourced from PubChem (CID 122512388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).