2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

C23H20ClN5O2 — CID 3235099

IUPAC2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C23H20ClN5O2/c24-16-10-8-15(9-11-16)20-22(30)29(14-18-7-4-12-31-18)21-19(27-20)13-25-23(28-21)26-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,25,26,28)/t18-/m1/s1
InChIKeyKWBNDLSDVVMUEV-GOSISDBHSA-N
MW433.90 g/mol
LogP4.43
Rot. Bonds5

About 2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3235099) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3235099
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C23H20ClN5O2/c24-16-10-8-15(9-11-16)20-22(30)29(14-18-7-4-12-31-18)21-19(27-20)13-25-23(28-21)26-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,25,26,28)/t18-/m1/s1
InChIKeyKWBNDLSDVVMUEV-GOSISDBHSA-N
XLogP4.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3235099) is 2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is O=c1c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc2n1C[C@H]1CCCO1.
What is the InChIKey of 2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is KWBNDLSDVVMUEV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c24-16-10-8-15(9-11-16)20-22(30)29(14-18-7-4-12-31-18)21-19(27-20)13-25-23(28-21)26-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,25,26,28)/t18-/m1/s1.
What are the key properties of 2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 433.90 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(4-chlorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3235099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).