N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide

C22H16ClN3O3 — CID 155564817

IUPACN-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28)
InChIKeyMDHSFSUMZBWHRU-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.26
Rot. Bonds5

About N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide

N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (PubChem CID 155564817) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
PubChem CID155564817
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC NameN-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28)
InChIKeyMDHSFSUMZBWHRU-UHFFFAOYSA-N
XLogP4.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (CID 155564817) is N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is O=C(COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The InChIKey is MDHSFSUMZBWHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28).
What are the key properties of N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide has a molecular weight of 405.84 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is sourced from PubChem (CID 155564817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).