6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one

C22H18F2N4O4 — CID 3232614

IUPAC6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccc(OC)cc3)nc21
InChIInChI=1S/C22H18F2N4O4/c1-30-8-7-28-20-18(26-19(21(28)29)13-9-14(23)11-15(24)10-13)12-25-22(27-20)32-17-5-3-16(31-2)4-6-17/h3-6,9-12H,7-8H2,1-2H3
InChIKeyDSXFDWWNKXCVIV-UHFFFAOYSA-N
MW440.41 g/mol
LogP3.58
Rot. Bonds7

About 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one

6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one (PubChem CID 3232614) has the molecular formula C22H18F2N4O4 and a molecular weight of 440.41 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one
PubChem CID3232614
Molecular FormulaC22H18F2N4O4
Molecular Weight440.41 g/mol
Exact Mass440.13
IUPAC Name6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccc(OC)cc3)nc21
InChIInChI=1S/C22H18F2N4O4/c1-30-8-7-28-20-18(26-19(21(28)29)13-9-14(23)11-15(24)10-13)12-25-22(27-20)32-17-5-3-16(31-2)4-6-17/h3-6,9-12H,7-8H2,1-2H3
InChIKeyDSXFDWWNKXCVIV-UHFFFAOYSA-N
XLogP3.58
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one with MolForge

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Related Compounds

p-(18F)MPPF
CID 5352127
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
N-[3-[6-(2-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 166625820
N-[2-[2-[(4-chloro-3-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094272
N-[2-[2-[(3-chloro-4-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094313
N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide
CID 70682573
2-[4-[2-(Diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 135382330
N-[3-[2-(4-methoxyanilino)-7-oxo-6-phenylpteridin-8-yl]phenyl]prop-2-enamide
CID 166625821
6-(4-Methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3234621
2-(Dimethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3232624
8-Cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one
CID 3232662

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one?
The IUPAC name of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one (CID 3232614) is 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one is COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccc(OC)cc3)nc21.
What is the InChIKey of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one?
The InChIKey is DSXFDWWNKXCVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O4/c1-30-8-7-28-20-18(26-19(21(28)29)13-9-14(23)11-15(24)10-13)12-25-22(27-20)32-17-5-3-16(31-2)4-6-17/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one?
6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one has a molecular weight of 440.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one is sourced from PubChem (CID 3232614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).