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

C22H16ClN3O4 — CID 155546769

IUPACN-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H16ClN3O4/c23-14-6-8-15(9-7-14)24-20(28)12-30-19-10-5-13(11-18(19)27)21-25-17-4-2-1-3-16(17)22(29)26-21/h1-11,27H,12H2,(H,24,28)(H,25,26,29)
InChIKeyORBGCVYVZJFTBY-UHFFFAOYSA-N
MW421.84 g/mol
LogP3.97
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (PubChem CID 155546769) has the molecular formula C22H16ClN3O4 and a molecular weight of 421.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
PubChem CID155546769
Molecular FormulaC22H16ClN3O4
Molecular Weight421.84 g/mol
Exact Mass421.08
IUPAC NameN-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H16ClN3O4/c23-14-6-8-15(9-7-14)24-20(28)12-30-19-10-5-13(11-18(19)27)21-25-17-4-2-1-3-16(17)22(29)26-21/h1-11,27H,12H2,(H,24,28)(H,25,26,29)
InChIKeyORBGCVYVZJFTBY-UHFFFAOYSA-N
XLogP3.97
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate
CID 168552483
N-(4-methylphenyl)-2-[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168552578
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155558818
2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide
CID 168552534
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 17296439
[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate
CID 168552283
2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 168552478
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
CID 168550890

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (CID 155546769) is N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is O=C(COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The InChIKey is ORBGCVYVZJFTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O4/c23-14-6-8-15(9-7-14)24-20(28)12-30-19-10-5-13(11-18(19)27)21-25-17-4-2-1-3-16(17)22(29)26-21/h1-11,27H,12H2,(H,24,28)(H,25,26,29).
What are the key properties of N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide has a molecular weight of 421.84 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is sourced from PubChem (CID 155546769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).