6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one

C20H16ClN5O — CID 3235360

IUPAC6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C20H16ClN5O/c1-2-22-20-23-12-16-18(25-20)26(15-6-4-3-5-7-15)19(27)17(24-16)13-8-10-14(21)11-9-13/h3-12H,2H2,1H3,(H,22,23,25)
InChIKeyNZQAYJQFOLVXLH-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.93
Rot. Bonds4

About 6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one

6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one (PubChem CID 3235360) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one
PubChem CID3235360
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C20H16ClN5O/c1-2-22-20-23-12-16-18(25-20)26(15-6-4-3-5-7-15)19(27)17(24-16)13-8-10-14(21)11-9-13/h3-12H,2H2,1H3,(H,22,23,25)
InChIKeyNZQAYJQFOLVXLH-UHFFFAOYSA-N
XLogP3.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one (CID 3235360) is 6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one is CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one?
The InChIKey is NZQAYJQFOLVXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-2-22-20-23-12-16-18(25-20)26(15-6-4-3-5-7-15)19(27)17(24-16)13-8-10-14(21)11-9-13/h3-12H,2H2,1H3,(H,22,23,25).
What are the key properties of 6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one?
6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one has a molecular weight of 377.84 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(ethylamino)-8-phenylpteridin-7-one is sourced from PubChem (CID 3235360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).