2-ethyl-4-(4-phenylphenyl)quinazoline

C22H18N2 — CID 134403599

IUPAC2-ethyl-4-(4-phenylphenyl)quinazoline
SMILESCCc1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H18N2/c1-2-21-23-20-11-7-6-10-19(20)22(24-21)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKeyHASCPYYCXHMSCV-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.53
Rot. Bonds3

About 2-ethyl-4-(4-phenylphenyl)quinazoline

2-ethyl-4-(4-phenylphenyl)quinazoline (PubChem CID 134403599) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-ethyl-4-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name2-ethyl-4-(4-phenylphenyl)quinazoline
PubChem CID134403599
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name2-ethyl-4-(4-phenylphenyl)quinazoline
SMILESCCc1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H18N2/c1-2-21-23-20-11-7-6-10-19(20)22(24-21)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKeyHASCPYYCXHMSCV-UHFFFAOYSA-N
XLogP5.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-phenylphenyl)quinazoline?
The IUPAC name of 2-ethyl-4-(4-phenylphenyl)quinazoline (CID 134403599) is 2-ethyl-4-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 2-ethyl-4-(4-phenylphenyl)quinazoline?
The canonical SMILES for 2-ethyl-4-(4-phenylphenyl)quinazoline is CCc1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.
What is the InChIKey of 2-ethyl-4-(4-phenylphenyl)quinazoline?
The InChIKey is HASCPYYCXHMSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-2-21-23-20-11-7-6-10-19(20)22(24-21)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3.
What are the key properties of 2-ethyl-4-(4-phenylphenyl)quinazoline?
2-ethyl-4-(4-phenylphenyl)quinazoline has a molecular weight of 310.40 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 134403599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).