2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one

C25H23ClN4O3 — CID 3233485

IUPAC2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESO=c1c(CCc2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C25H23ClN4O3/c26-18-8-4-9-19(14-18)33-25-27-15-22-23(29-25)30(16-20-10-5-13-32-20)24(31)21(28-22)12-11-17-6-2-1-3-7-17/h1-4,6-9,14-15,20H,5,10-13,16H2/t20-/m1/s1
InChIKeyNJDZHVTZBBYKHM-HXUWFJFHSA-N
MW462.94 g/mol
LogP4.60
Rot. Bonds7

About 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one

2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3233485) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
PubChem CID3233485
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESO=c1c(CCc2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C25H23ClN4O3/c26-18-8-4-9-19(14-18)33-25-27-15-22-23(29-25)30(16-20-10-5-13-32-20)24(31)21(28-22)12-11-17-6-2-1-3-7-17/h1-4,6-9,14-15,20H,5,10-13,16H2/t20-/m1/s1
InChIKeyNJDZHVTZBBYKHM-HXUWFJFHSA-N
XLogP4.60
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-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

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
6-(4-Methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3234621
6-(3,5-Difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one
CID 3232614
2-(Dimethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3232624
8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one
CID 3232690
6-(4-Fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3232759
6-(4-Chlorophenyl)-8-methyl-2-phenoxypteridin-7-one
CID 3232788
8-[(3-Methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one
CID 3232791
6-(4-Chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one
CID 3232869
3-[2-(4-Methoxyphenoxy)-7-oxo-6-phenylpteridin-8-yl]propanenitrile
CID 3232924
6-(4-Chlorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3232948

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one (CID 3233485) is 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one is O=c1c(CCc2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1.
What is the InChIKey of 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is NJDZHVTZBBYKHM-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c26-18-8-4-9-19(14-18)33-25-27-15-22-23(29-25)30(16-20-10-5-13-32-20)24(31)21(28-22)12-11-17-6-2-1-3-7-17/h1-4,6-9,14-15,20H,5,10-13,16H2/t20-/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one?
2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 462.94 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3233485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).