6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one

C16H15ClN4O3 — CID 3234393

IUPAC6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(OC)nc21
InChIInChI=1S/C16H15ClN4O3/c1-23-8-7-21-14-12(9-18-16(20-14)24-2)19-13(15(21)22)10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyFUNZZUYSOSFSPT-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.16
Rot. Bonds5

About 6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one

6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one (PubChem CID 3234393) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one
PubChem CID3234393
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(OC)nc21
InChIInChI=1S/C16H15ClN4O3/c1-23-8-7-21-14-12(9-18-16(20-14)24-2)19-13(15(21)22)10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyFUNZZUYSOSFSPT-UHFFFAOYSA-N
XLogP2.16
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one (CID 3234393) is 6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one is COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(OC)nc21.
What is the InChIKey of 6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one?
The InChIKey is FUNZZUYSOSFSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-23-8-7-21-14-12(9-18-16(20-14)24-2)19-13(15(21)22)10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one?
6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one has a molecular weight of 346.77 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one is sourced from PubChem (CID 3234393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).