2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one

C19H13N3O2 — CID 168551800

IUPAC2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(Oc3ccccn3)c2)nc2ccccc12
InChIInChI=1S/C19H13N3O2/c23-19-15-8-1-2-9-16(15)21-18(22-19)13-6-5-7-14(12-13)24-17-10-3-4-11-20-17/h1-12H,(H,21,22,23)
InChIKeyAHNBUZMCHXLHCM-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.78
Rot. Bonds3

About 2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one

2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one (PubChem CID 168551800) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
PubChem CID168551800
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(Oc3ccccn3)c2)nc2ccccc12
InChIInChI=1S/C19H13N3O2/c23-19-15-8-1-2-9-16(15)21-18(22-19)13-6-5-7-14(12-13)24-17-10-3-4-11-20-17/h1-12H,(H,21,22,23)
InChIKeyAHNBUZMCHXLHCM-UHFFFAOYSA-N
XLogP3.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one (CID 168551800) is 2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cccc(Oc3ccccn3)c2)nc2ccccc12.
What is the InChIKey of 2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one?
The InChIKey is AHNBUZMCHXLHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19-15-8-1-2-9-16(15)21-18(22-19)13-6-5-7-14(12-13)24-17-10-3-4-11-20-17/h1-12H,(H,21,22,23).
What are the key properties of 2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one?
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one has a molecular weight of 315.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).