4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline

C20H15N3O — CID 930112

IUPAC4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline
SMILESCc1cccc(Oc2nc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C20H15N3O/c1-14-7-6-8-15(13-14)24-20-16-9-2-3-10-17(16)22-19(23-20)18-11-4-5-12-21-18/h2-13H,1H3
InChIKeyNNBPTCAWASUKMR-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.79
Rot. Bonds3

About 4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline

4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline (PubChem CID 930112) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline.

Molecular Properties

Compound Name4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline
PubChem CID930112
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline
SMILESCc1cccc(Oc2nc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C20H15N3O/c1-14-7-6-8-15(13-14)24-20-16-9-2-3-10-17(16)22-19(23-20)18-11-4-5-12-21-18/h2-13H,1H3
InChIKeyNNBPTCAWASUKMR-UHFFFAOYSA-N
XLogP4.79
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline?
The IUPAC name of 4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline (CID 930112) is 4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline.
What is the SMILES notation for 4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline?
The canonical SMILES for 4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline is Cc1cccc(Oc2nc(-c3ccccn3)nc3ccccc23)c1.
What is the InChIKey of 4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline?
The InChIKey is NNBPTCAWASUKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-14-7-6-8-15(13-14)24-20-16-9-2-3-10-17(16)22-19(23-20)18-11-4-5-12-21-18/h2-13H,1H3.
What are the key properties of 4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline?
4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline has a molecular weight of 313.36 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-2-pyridin-2-ylquinazoline is sourced from PubChem (CID 930112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).