5-deuterio-2-methyl-4,7-diphenylquinazoline

Name: 5-deuterio-2-methyl-4,7-diphenylquinazoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₁₆N₂ — CID 159932921

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-deuterio-2-methyl-4,7-diphenylquinazoline

SMILES[2H]c1cc(-c2ccccc2)cc2nc(C)nc(-c3ccccc3)c12

InChIInChI=1S/C21H16N2/c1-15-22-20-14-18(16-8-4-2-5-9-16)12-13-19(20)21(23-15)17-10-6-3-7-11-17/h2-14H,1H3/i13D

InChIKeyPHFQMJPNIQYEAF-YSOHJTORSA-N

MW297.38 g/mol

LogP5.27

Rot. Bonds2

About 5-deuterio-2-methyl-4,7-diphenylquinazoline

5-deuterio-2-methyl-4,7-diphenylquinazoline (PubChem CID 159932921) has the molecular formula C₂₁H₁₆N₂ and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-deuterio-2-methyl-4,7-diphenylquinazoline.

Molecular Properties

Compound Name	5-deuterio-2-methyl-4,7-diphenylquinazoline
PubChem CID	159932921
Molecular Formula	C₂₁H₁₆N₂
Molecular Weight	297.38 g/mol
Exact Mass	297.14
IUPAC Name	5-deuterio-2-methyl-4,7-diphenylquinazoline
SMILES	[2H]c1cc(-c2ccccc2)cc2nc(C)nc(-c3ccccc3)c12
InChI	InChI=1S/C21H16N2/c1-15-22-20-14-18(16-8-4-2-5-9-16)12-13-19(20)21(23-15)17-10-6-3-7-11-17/h2-14H,1H3/i13D
InChIKey	PHFQMJPNIQYEAF-YSOHJTORSA-N
XLogP	5.27
TPSA	25.78 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	297.38
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-methyl-4,7-diphenylquinazoline?

The IUPAC name of 5-deuterio-2-methyl-4,7-diphenylquinazoline (CID 159932921) is 5-deuterio-2-methyl-4,7-diphenylquinazoline.

What is the SMILES notation for 5-deuterio-2-methyl-4,7-diphenylquinazoline?

The canonical SMILES for 5-deuterio-2-methyl-4,7-diphenylquinazoline is [2H]c1cc(-c2ccccc2)cc2nc(C)nc(-c3ccccc3)c12.

What is the InChIKey of 5-deuterio-2-methyl-4,7-diphenylquinazoline?

The InChIKey is PHFQMJPNIQYEAF-YSOHJTORSA-N. The full InChI is InChI=1S/C21H16N2/c1-15-22-20-14-18(16-8-4-2-5-9-16)12-13-19(20)21(23-15)17-10-6-3-7-11-17/h2-14H,1H3/i13D.

What are the key properties of 5-deuterio-2-methyl-4,7-diphenylquinazoline?

5-deuterio-2-methyl-4,7-diphenylquinazoline has a molecular weight of 297.38 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-deuterio-2-methyl-4,7-diphenylquinazoline is sourced from PubChem (CID 159932921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 159932921 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.