N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

C23H16N4O3 — CID 48872680

IUPACN-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C23H16N4O3/c24-13-16-5-9-18(10-6-16)30-19-11-7-17(8-12-19)26-22(28)14-27-15-25-21-4-2-1-3-20(21)23(27)29/h1-12,15H,14H2,(H,26,28)
InChIKeyBDWGEVJSCDGZGA-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.70
Rot. Bonds5

About N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 48872680) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID48872680
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC NameN-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C23H16N4O3/c24-13-16-5-9-18(10-6-16)30-19-11-7-17(8-12-19)26-22(28)14-27-15-25-21-4-2-1-3-20(21)23(27)29/h1-12,15H,14H2,(H,26,28)
InChIKeyBDWGEVJSCDGZGA-UHFFFAOYSA-N
XLogP3.70
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-methylphenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7758722
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
[2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2451728
2-(7-chloro-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18227093
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122302050
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1259847
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 41489456

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 48872680) is N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is N#Cc1ccc(Oc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc1.
What is the InChIKey of N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is BDWGEVJSCDGZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c24-13-16-5-9-18(10-6-16)30-19-11-7-17(8-12-19)26-22(28)14-27-15-25-21-4-2-1-3-20(21)23(27)29/h1-12,15H,14H2,(H,26,28).
What are the key properties of N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 396.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 48872680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).