3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile

C21H14N4O — CID 133282843

IUPAC3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile
SMILESCc1cc(C#N)ccc1Oc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H14N4O/c1-14-12-15(13-22)6-7-19(14)26-21-17-4-2-3-5-18(17)24-20(25-21)16-8-10-23-11-9-16/h2-12H,1H3
InChIKeyFBWIZGDWOPVIHD-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.66
Rot. Bonds3

About 3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile

3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile (PubChem CID 133282843) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile
PubChem CID133282843
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile
SMILESCc1cc(C#N)ccc1Oc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H14N4O/c1-14-12-15(13-22)6-7-19(14)26-21-17-4-2-3-5-18(17)24-20(25-21)16-8-10-23-11-9-16/h2-12H,1H3
InChIKeyFBWIZGDWOPVIHD-UHFFFAOYSA-N
XLogP4.66
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile?
The IUPAC name of 3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile (CID 133282843) is 3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile.
What is the SMILES notation for 3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile?
The canonical SMILES for 3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile is Cc1cc(C#N)ccc1Oc1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile?
The InChIKey is FBWIZGDWOPVIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c1-14-12-15(13-22)6-7-19(14)26-21-17-4-2-3-5-18(17)24-20(25-21)16-8-10-23-11-9-16/h2-12H,1H3.
What are the key properties of 3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile?
3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile has a molecular weight of 338.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile is sourced from PubChem (CID 133282843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).