8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one

C26H27N5O3 — CID 3232791

IUPAC8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(N4CCOCC4)nc32)c1
InChIInChI=1S/C26H27N5O3/c1-33-21-9-5-8-20(16-21)18-31-24-23(17-27-26(29-24)30-12-14-34-15-13-30)28-22(25(31)32)11-10-19-6-3-2-4-7-19/h2-9,16-17H,10-15,18H2,1H3
InChIKeyRKLRKJOMVYHSRQ-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.87
Rot. Bonds7

About 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one

8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3232791) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one
PubChem CID3232791
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(N4CCOCC4)nc32)c1
InChIInChI=1S/C26H27N5O3/c1-33-21-9-5-8-20(16-21)18-31-24-23(17-27-26(29-24)30-12-14-34-15-13-30)28-22(25(31)32)11-10-19-6-3-2-4-7-19/h2-9,16-17H,10-15,18H2,1H3
InChIKeyRKLRKJOMVYHSRQ-UHFFFAOYSA-N
XLogP2.87
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-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

CID 5684
CID 5684
CID 10048892
CID 10048892
CID 5352127
CID 5352127
CID 11834378
CID 11834378
CID 5328641
CID 5328641
CID 5328650
CID 5328650
CID 104911
CID 104911
CID 44593709
CID 44593709
CID 57798492
CID 57798492
CID 609668
CID 609668
CID 137347775
CID 137347775
CID 449645
CID 449645

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one (CID 3232791) is 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one is COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(N4CCOCC4)nc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is RKLRKJOMVYHSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-33-21-9-5-8-20(16-21)18-31-24-23(17-27-26(29-24)30-12-14-34-15-13-30)28-22(25(31)32)11-10-19-6-3-2-4-7-19/h2-9,16-17H,10-15,18H2,1H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one?
8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 457.53 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3232791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).