8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one

C26H24N6O3 — CID 3234860

IUPAC8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C26H24N6O3/c1-30-16-20(19-5-3-4-6-22(19)30)23-25(33)32(17-7-9-18(34-2)10-8-17)24-21(28-23)15-27-26(29-24)31-11-13-35-14-12-31/h3-10,15-16H,11-14H2,1-2H3
InChIKeyURFDSSIAWSQFMY-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.18
Rot. Bonds4

About 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one

8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one (PubChem CID 3234860) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one
PubChem CID3234860
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C26H24N6O3/c1-30-16-20(19-5-3-4-6-22(19)30)23-25(33)32(17-7-9-18(34-2)10-8-17)24-21(28-23)15-27-26(29-24)31-11-13-35-14-12-31/h3-10,15-16H,11-14H2,1-2H3
InChIKeyURFDSSIAWSQFMY-UHFFFAOYSA-N
XLogP3.18
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one?
The IUPAC name of 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one (CID 3234860) is 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one is COc1ccc(-n2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(N4CCOCC4)nc32)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one?
The InChIKey is URFDSSIAWSQFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-30-16-20(19-5-3-4-6-22(19)30)23-25(33)32(17-7-9-18(34-2)10-8-17)24-21(28-23)15-27-26(29-24)31-11-13-35-14-12-31/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one?
8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one has a molecular weight of 468.52 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)-2-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3234860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).