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

C21H16N2 — CID 159932921

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 Name5-deuterio-2-methyl-4,7-diphenylquinazoline
PubChem CID159932921
Molecular FormulaC21H16N2
Molecular Weight297.38 g/mol
Exact Mass297.14
IUPAC Name5-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
XLogP5.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-phenyl-7-(3-phenylphenyl)quinazoline
CID 159677952
2-methyl-4-phenyl-6-(4-phenylphenyl)quinazoline
CID 161216404
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
2-methyl-4,6-diphenylbenzo[h]quinazoline
CID 157187450
2-methyl-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine
CID 144858513
2-methyl-4,10-diphenylbenzo[g]quinazoline
CID 160887193
1,3-dideuterio-2-methyl-5-phenylbenzene
CID 140908815
2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 140914955
ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine
CID 142519146
2-methyl-4-phenylphenanthro[9,10-d]pyrimidine
CID 140928944
4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
CID 144968804

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).