2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline

C23H21N3O — CID 67689385

IUPAC2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline
SMILESCC(C)Oc1nc(-c2cccc(Cc3ccccc3)n2)nc2ccccc12
InChIInChI=1S/C23H21N3O/c1-16(2)27-23-19-12-6-7-13-20(19)25-22(26-23)21-14-8-11-18(24-21)15-17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3
InChIKeyJVXZJCQFBBNEEV-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.07
Rot. Bonds5

About 2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline

2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline (PubChem CID 67689385) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline.

Molecular Properties

Compound Name2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline
PubChem CID67689385
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline
SMILESCC(C)Oc1nc(-c2cccc(Cc3ccccc3)n2)nc2ccccc12
InChIInChI=1S/C23H21N3O/c1-16(2)27-23-19-12-6-7-13-20(19)25-22(26-23)21-14-8-11-18(24-21)15-17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3
InChIKeyJVXZJCQFBBNEEV-UHFFFAOYSA-N
XLogP5.07
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline?
The IUPAC name of 2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline (CID 67689385) is 2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline.
What is the SMILES notation for 2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline?
The canonical SMILES for 2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline is CC(C)Oc1nc(-c2cccc(Cc3ccccc3)n2)nc2ccccc12.
What is the InChIKey of 2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline?
The InChIKey is JVXZJCQFBBNEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16(2)27-23-19-12-6-7-13-20(19)25-22(26-23)21-14-8-11-18(24-21)15-17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3.
What are the key properties of 2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline?
2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline has a molecular weight of 355.44 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-2-pyridinyl)-4-propan-2-yloxyquinazoline is sourced from PubChem (CID 67689385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).