7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline

C21H16N6 — CID 176978878

IUPAC7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline
SMILESCn1cc(-c2ccc3c(-n4ccnc4-c4ccccc4)ncnc3c2)cn1
InChIInChI=1S/C21H16N6/c1-26-13-17(12-25-26)16-7-8-18-19(11-16)23-14-24-21(18)27-10-9-22-20(27)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyFJMDBGPFXRDJST-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.88
Rot. Bonds3

About 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline

7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline (PubChem CID 176978878) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline
PubChem CID176978878
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline
SMILESCn1cc(-c2ccc3c(-n4ccnc4-c4ccccc4)ncnc3c2)cn1
InChIInChI=1S/C21H16N6/c1-26-13-17(12-25-26)16-7-8-18-19(11-16)23-14-24-21(18)27-10-9-22-20(27)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyFJMDBGPFXRDJST-UHFFFAOYSA-N
XLogP3.88
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline 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 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline (CID 176978878) is 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline is Cn1cc(-c2ccc3c(-n4ccnc4-c4ccccc4)ncnc3c2)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline?
The InChIKey is FJMDBGPFXRDJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c1-26-13-17(12-25-26)16-7-8-18-19(11-16)23-14-24-21(18)27-10-9-22-20(27)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline?
7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline has a molecular weight of 352.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline is sourced from PubChem (CID 176978878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).