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

C22H16N4O5 — CID 155558818

IUPACN-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H16N4O5/c27-20(23-15-7-9-16(10-8-15)26(29)30)13-31-17-11-5-14(6-12-17)21-24-19-4-2-1-3-18(19)22(28)25-21/h1-12H,13H2,(H,23,27)(H,24,25,28)
InChIKeyZSACIESEUVABMV-UHFFFAOYSA-N
MW416.39 g/mol
LogP3.52
Rot. Bonds6

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

N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (PubChem CID 155558818) has the molecular formula C22H16N4O5 and a molecular weight of 416.39 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
PubChem CID155558818
Molecular FormulaC22H16N4O5
Molecular Weight416.39 g/mol
Exact Mass416.11
IUPAC NameN-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H16N4O5/c27-20(23-15-7-9-16(10-8-15)26(29)30)13-31-17-11-5-14(6-12-17)21-24-19-4-2-1-3-18(19)22(28)25-21/h1-12H,13H2,(H,23,27)(H,24,25,28)
InChIKeyZSACIESEUVABMV-UHFFFAOYSA-N
XLogP3.52
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1343042
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide
CID 46785986
[2-(4-nitroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140711
N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155546769
N-(4-methylphenyl)-2-[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168552578
N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155550888
N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168551679
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 18279752
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (CID 155558818) is N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is O=C(COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The InChIKey is ZSACIESEUVABMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O5/c27-20(23-15-7-9-16(10-8-15)26(29)30)13-31-17-11-5-14(6-12-17)21-24-19-4-2-1-3-18(19)22(28)25-21/h1-12H,13H2,(H,23,27)(H,24,25,28).
What are the key properties of N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide has a molecular weight of 416.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is sourced from PubChem (CID 155558818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).