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

C17H18ClN5O2 — CID 3234129

IUPAC6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N(C)C)nc21
InChIInChI=1S/C17H18ClN5O2/c1-22(2)17-19-10-13-15(21-17)23(8-9-25-3)16(24)14(20-13)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyWMHTVROGZUFDFN-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.22
Rot. Bonds5

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

6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one (PubChem CID 3234129) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one
PubChem CID3234129
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N(C)C)nc21
InChIInChI=1S/C17H18ClN5O2/c1-22(2)17-19-10-13-15(21-17)23(8-9-25-3)16(24)14(20-13)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyWMHTVROGZUFDFN-UHFFFAOYSA-N
XLogP2.22
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)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

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one (CID 3234129) is 6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one is COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N(C)C)nc21.
What is the InChIKey of 6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one?
The InChIKey is WMHTVROGZUFDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-22(2)17-19-10-13-15(21-17)23(8-9-25-3)16(24)14(20-13)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one?
6-(4-chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one has a molecular weight of 359.82 g/mol, XLogP of 2.22, 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-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one is sourced from PubChem (CID 3234129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).