2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide

C22H17N3O3 — CID 19959079

IUPAC2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide
SMILESNC(=O)Cc1cn(-c2ccc(O)cc2)c2cc(-c3ccncc3)ccc2c1=O
InChIInChI=1S/C22H17N3O3/c23-21(27)12-16-13-25(17-2-4-18(26)5-3-17)20-11-15(1-6-19(20)22(16)28)14-7-9-24-10-8-14/h1-11,13,26H,12H2,(H2,23,27)
InChIKeyLESYQIVBBIEAQT-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.79
Rot. Bonds4

About 2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide

2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide (PubChem CID 19959079) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide
PubChem CID19959079
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide
SMILESNC(=O)Cc1cn(-c2ccc(O)cc2)c2cc(-c3ccncc3)ccc2c1=O
InChIInChI=1S/C22H17N3O3/c23-21(27)12-16-13-25(17-2-4-18(26)5-3-17)20-11-15(1-6-19(20)22(16)28)14-7-9-24-10-8-14/h1-11,13,26H,12H2,(H2,23,27)
InChIKeyLESYQIVBBIEAQT-UHFFFAOYSA-N
XLogP2.79
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide (CID 19959079) is 2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide is NC(=O)Cc1cn(-c2ccc(O)cc2)c2cc(-c3ccncc3)ccc2c1=O.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide?
The InChIKey is LESYQIVBBIEAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c23-21(27)12-16-13-25(17-2-4-18(26)5-3-17)20-11-15(1-6-19(20)22(16)28)14-7-9-24-10-8-14/h1-11,13,26H,12H2,(H2,23,27).
What are the key properties of 2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide?
2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide is sourced from PubChem (CID 19959079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).