6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one

C20H14Cl2F2N4O4 — CID 59309880

IUPAC6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one
SMILESCOc1cc(Cl)c(-n2c(=O)[nH]c3c(Cl)ncnc32)cc1OCc1c(OC)ccc(F)c1F
InChIInChI=1S/C20H14Cl2F2N4O4/c1-30-13-4-3-11(23)16(24)9(13)7-32-15-6-12(10(21)5-14(15)31-2)28-19-17(27-20(28)29)18(22)25-8-26-19/h3-6,8H,7H2,1-2H3,(H,27,29)
InChIKeyPQCBTOLZTCMIHV-UHFFFAOYSA-N
MW483.26 g/mol
LogP4.29
Rot. Bonds6

About 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one

6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one (PubChem CID 59309880) has the molecular formula C20H14Cl2F2N4O4 and a molecular weight of 483.26 g/mol. Its IUPAC name is 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one.

Molecular Properties

Compound Name6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one
PubChem CID59309880
Molecular FormulaC20H14Cl2F2N4O4
Molecular Weight483.26 g/mol
Exact Mass482.04
IUPAC Name6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one
SMILESCOc1cc(Cl)c(-n2c(=O)[nH]c3c(Cl)ncnc32)cc1OCc1c(OC)ccc(F)c1F
InChIInChI=1S/C20H14Cl2F2N4O4/c1-30-13-4-3-11(23)16(24)9(13)7-32-15-6-12(10(21)5-14(15)31-2)28-19-17(27-20(28)29)18(22)25-8-26-19/h3-6,8H,7H2,1-2H3,(H,27,29)
InChIKeyPQCBTOLZTCMIHV-UHFFFAOYSA-N
XLogP4.29
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-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

9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-6-ethoxy-7H-purin-8-one
CID 25056263
9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-6-(1-hydroxyethyl)-7H-purin-8-one
CID 59310093
5-chloro-3-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 25055218
9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-2-(2-hydroxyethylamino)-6-methoxy-7H-purin-8-one
CID 59310148
2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(6-methoxy-2-methyl-8-oxo-7H-purin-9-yl)phenoxy]acetamide
CID 59309949
9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(3-hydroxypropoxy)phenyl]-2-(fluoromethyl)-6-methoxy-7H-purin-8-one
CID 59309621
2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(6-methoxy-2-methyl-8-oxo-7H-purin-9-yl)phenoxy]-N-methylacetamide
CID 59310047
2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-[2-(hydroxymethyl)-6-methoxy-8-oxo-7H-purin-9-yl]phenoxy]-N-methylacetamide
CID 59309812
5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 25055215
ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-[6-methoxy-2-(methoxymethyl)-8-oxo-7H-purin-9-yl]phenoxy]acetate
CID 59310070
2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-ethyl-6-methoxy-8-oxo-7H-purin-9-yl)phenoxy]-N-ethylacetamide
CID 59309826
9-[2-chloro-5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]phenyl]-6-methoxy-7H-purin-8-one
CID 59309809

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one?
The IUPAC name of 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one (CID 59309880) is 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one.
What is the SMILES notation for 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one?
The canonical SMILES for 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one is COc1cc(Cl)c(-n2c(=O)[nH]c3c(Cl)ncnc32)cc1OCc1c(OC)ccc(F)c1F.
What is the InChIKey of 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one?
The InChIKey is PQCBTOLZTCMIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F2N4O4/c1-30-13-4-3-11(23)16(24)9(13)7-32-15-6-12(10(21)5-14(15)31-2)28-19-17(27-20(28)29)18(22)25-8-26-19/h3-6,8H,7H2,1-2H3,(H,27,29).
What are the key properties of 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one?
6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one has a molecular weight of 483.26 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one is sourced from PubChem (CID 59309880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).