2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

C21H20N4O3 — CID 72852912

IUPAC2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
SMILESO=C(COc1ccccc1O)NC1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C21H20N4O3/c26-18-8-1-2-9-19(18)28-13-20(27)24-16-6-3-7-17-15(16)12-23-21(25-17)14-5-4-10-22-11-14/h1-2,4-5,8-12,16,26H,3,6-7,13H2,(H,24,27)
InChIKeyPBBCCFWQOMEVHH-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.82
Rot. Bonds5

About 2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide (PubChem CID 72852912) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
PubChem CID72852912
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
SMILESO=C(COc1ccccc1O)NC1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C21H20N4O3/c26-18-8-1-2-9-19(18)28-13-20(27)24-16-6-3-7-17-15(16)12-23-21(25-17)14-5-4-10-22-11-14/h1-2,4-5,8-12,16,26H,3,6-7,13H2,(H,24,27)
InChIKeyPBBCCFWQOMEVHH-UHFFFAOYSA-N
XLogP2.82
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The IUPAC name of 2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide (CID 72852912) is 2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The canonical SMILES for 2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide is O=C(COc1ccccc1O)NC1CCCc2nc(-c3cccnc3)ncc21.
What is the InChIKey of 2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The InChIKey is PBBCCFWQOMEVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-18-8-1-2-9-19(18)28-13-20(27)24-16-6-3-7-17-15(16)12-23-21(25-17)14-5-4-10-22-11-14/h1-2,4-5,8-12,16,26H,3,6-7,13H2,(H,24,27).
What are the key properties of 2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide is sourced from PubChem (CID 72852912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).