8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one

C21H19Cl3N2O5 — CID 139433004

IUPAC8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one
SMILESCC1(C)OC[C@@H](COc2ncc(Cl)c3c2c(=O)cc(CO)n3-c2c(Cl)cccc2Cl)O1
InChIInChI=1S/C21H19Cl3N2O5/c1-21(2)30-10-12(31-21)9-29-20-17-16(28)6-11(8-27)26(19(17)15(24)7-25-20)18-13(22)4-3-5-14(18)23/h3-7,12,27H,8-10H2,1-2H3/t12-/m1/s1
InChIKeyBSKNWGRELQKJMA-GFCCVEGCSA-N
MW485.75 g/mol
LogP4.37
Rot. Bonds5

About 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one

8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one (PubChem CID 139433004) has the molecular formula C21H19Cl3N2O5 and a molecular weight of 485.75 g/mol. Its IUPAC name is 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one
PubChem CID139433004
Molecular FormulaC21H19Cl3N2O5
Molecular Weight485.75 g/mol
Exact Mass484.04
IUPAC Name8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one
SMILESCC1(C)OC[C@@H](COc2ncc(Cl)c3c2c(=O)cc(CO)n3-c2c(Cl)cccc2Cl)O1
InChIInChI=1S/C21H19Cl3N2O5/c1-21(2)30-10-12(31-21)9-29-20-17-16(28)6-11(8-27)26(19(17)15(24)7-25-20)18-13(22)4-3-5-14(18)23/h3-7,12,27H,8-10H2,1-2H3/t12-/m1/s1
InChIKeyBSKNWGRELQKJMA-GFCCVEGCSA-N
XLogP4.37
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-1-(2,6-dichlorophenyl)-2-(difluoromethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,6-naphthyridin-4-one
CID 140865905
8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one
CID 134453218
[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol
CID 126708776
5-bromo-2-chloro-3-nitropyridine;5-bromo-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-nitropyridine;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 167621966
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]aniline
CID 58154795
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]aniline
CID 58278984
3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]aniline
CID 58552948
4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane
CID 156832181
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridine-2-carboxylic acid
CID 58477293
2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
CID 78066178
2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine
CID 159220680
(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 57225291

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one?
The IUPAC name of 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one (CID 139433004) is 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one is CC1(C)OC[C@@H](COc2ncc(Cl)c3c2c(=O)cc(CO)n3-c2c(Cl)cccc2Cl)O1.
What is the InChIKey of 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one?
The InChIKey is BSKNWGRELQKJMA-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H19Cl3N2O5/c1-21(2)30-10-12(31-21)9-29-20-17-16(28)6-11(8-27)26(19(17)15(24)7-25-20)18-13(22)4-3-5-14(18)23/h3-7,12,27H,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one?
8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one has a molecular weight of 485.75 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 139433004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).