2-(4-methylphenyl)-3-phenyl-4H-quinazoline

C21H18N2 — CID 174881000

IUPAC2-(4-methylphenyl)-3-phenyl-4H-quinazoline
SMILESCc1ccc(C2=Nc3ccccc3CN2c2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-16-11-13-17(14-12-16)21-22-20-10-6-5-7-18(20)15-23(21)19-8-3-2-4-9-19/h2-14H,15H2,1H3
InChIKeyHWZZFPAKEAMQAQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.09
Rot. Bonds2

About 2-(4-methylphenyl)-3-phenyl-4H-quinazoline

2-(4-methylphenyl)-3-phenyl-4H-quinazoline (PubChem CID 174881000) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-phenyl-4H-quinazoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-phenyl-4H-quinazoline
PubChem CID174881000
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name2-(4-methylphenyl)-3-phenyl-4H-quinazoline
SMILESCc1ccc(C2=Nc3ccccc3CN2c2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-16-11-13-17(14-12-16)21-22-20-10-6-5-7-18(20)15-23(21)19-8-3-2-4-9-19/h2-14H,15H2,1H3
InChIKeyHWZZFPAKEAMQAQ-UHFFFAOYSA-N
XLogP5.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-phenyl-4H-quinazoline?
The IUPAC name of 2-(4-methylphenyl)-3-phenyl-4H-quinazoline (CID 174881000) is 2-(4-methylphenyl)-3-phenyl-4H-quinazoline.
What is the SMILES notation for 2-(4-methylphenyl)-3-phenyl-4H-quinazoline?
The canonical SMILES for 2-(4-methylphenyl)-3-phenyl-4H-quinazoline is Cc1ccc(C2=Nc3ccccc3CN2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-phenyl-4H-quinazoline?
The InChIKey is HWZZFPAKEAMQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-16-11-13-17(14-12-16)21-22-20-10-6-5-7-18(20)15-23(21)19-8-3-2-4-9-19/h2-14H,15H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-phenyl-4H-quinazoline?
2-(4-methylphenyl)-3-phenyl-4H-quinazoline has a molecular weight of 298.39 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-phenyl-4H-quinazoline is sourced from PubChem (CID 174881000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).