6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine

C20H14FN3O — CID 24964591

IUPAC6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine
SMILESCOc1ccc(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)cc1
InChIInChI=1S/C20H14FN3O/c1-25-16-8-4-14(5-9-16)19-20-18(22-12-23-19)11-10-17(24-20)13-2-6-15(21)7-3-13/h2-12H,1H3
InChIKeyDQCOHJDMVXVLBU-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.51
Rot. Bonds3

About 6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine

6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine (PubChem CID 24964591) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine
PubChem CID24964591
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine
SMILESCOc1ccc(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)cc1
InChIInChI=1S/C20H14FN3O/c1-25-16-8-4-14(5-9-16)19-20-18(22-12-23-19)11-10-17(24-20)13-2-6-15(21)7-3-13/h2-12H,1H3
InChIKeyDQCOHJDMVXVLBU-UHFFFAOYSA-N
XLogP4.51
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine 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-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine (CID 24964591) is 6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine is COc1ccc(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine?
The InChIKey is DQCOHJDMVXVLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c1-25-16-8-4-14(5-9-16)19-20-18(22-12-23-19)11-10-17(24-20)13-2-6-15(21)7-3-13/h2-12H,1H3.
What are the key properties of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine?
6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine has a molecular weight of 331.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 24964591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).