6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one

C22H20ClN5O2 — CID 3234506

IUPAC6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C22H20ClN5O2/c1-3-24-22-25-12-18-20(27-22)28(13-14-5-4-6-17(11-14)30-2)21(29)19(26-18)15-7-9-16(23)10-8-15/h4-12H,3,13H2,1-2H3,(H,24,25,27)
InChIKeyRNGACCYWBMEWOJ-UHFFFAOYSA-N
MW421.89 g/mol
LogP4.00
Rot. Bonds6

About 6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one

6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one (PubChem CID 3234506) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
PubChem CID3234506
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C22H20ClN5O2/c1-3-24-22-25-12-18-20(27-22)28(13-14-5-4-6-17(11-14)30-2)21(29)19(26-18)15-7-9-16(23)10-8-15/h4-12H,3,13H2,1-2H3,(H,24,25,27)
InChIKeyRNGACCYWBMEWOJ-UHFFFAOYSA-N
XLogP4.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one (CID 3234506) is 6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one is CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3cccc(OC)c3)c2n1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The InChIKey is RNGACCYWBMEWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-3-24-22-25-12-18-20(27-22)28(13-14-5-4-6-17(11-14)30-2)21(29)19(26-18)15-7-9-16(23)10-8-15/h4-12H,3,13H2,1-2H3,(H,24,25,27).
What are the key properties of 6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one has a molecular weight of 421.89 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one is sourced from PubChem (CID 3234506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).