2-benzhydryl-1,2,3,4-tetrahydroquinazoline

C21H20N2 — CID 14960300

IUPAC2-benzhydryl-1,2,3,4-tetrahydroquinazoline
SMILESc1ccc(C(c2ccccc2)C2NCc3ccccc3N2)cc1
InChIInChI=1S/C21H20N2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)21-22-15-18-13-7-8-14-19(18)23-21/h1-14,20-23H,15H2
InChIKeyBDQVENWMIIZDSF-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.36
Rot. Bonds3

About 2-benzhydryl-1,2,3,4-tetrahydroquinazoline

2-benzhydryl-1,2,3,4-tetrahydroquinazoline (PubChem CID 14960300) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-benzhydryl-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name2-benzhydryl-1,2,3,4-tetrahydroquinazoline
PubChem CID14960300
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name2-benzhydryl-1,2,3,4-tetrahydroquinazoline
SMILESc1ccc(C(c2ccccc2)C2NCc3ccccc3N2)cc1
InChIInChI=1S/C21H20N2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)21-22-15-18-13-7-8-14-19(18)23-21/h1-14,20-23H,15H2
InChIKeyBDQVENWMIIZDSF-UHFFFAOYSA-N
XLogP4.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of 2-benzhydryl-1,2,3,4-tetrahydroquinazoline (CID 14960300) is 2-benzhydryl-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for 2-benzhydryl-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for 2-benzhydryl-1,2,3,4-tetrahydroquinazoline is c1ccc(C(c2ccccc2)C2NCc3ccccc3N2)cc1.
What is the InChIKey of 2-benzhydryl-1,2,3,4-tetrahydroquinazoline?
The InChIKey is BDQVENWMIIZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)21-22-15-18-13-7-8-14-19(18)23-21/h1-14,20-23H,15H2.
What are the key properties of 2-benzhydryl-1,2,3,4-tetrahydroquinazoline?
2-benzhydryl-1,2,3,4-tetrahydroquinazoline has a molecular weight of 300.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 14960300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).