N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide

C36H31N3O3 — CID 126358405

IUPACN-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide
SMILESO=C(COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C36H31N3O3/c40-34(37-24-27-12-4-1-5-13-27)26-42-31-22-20-29(21-23-31)35-38(25-28-14-6-2-7-15-28)33-19-11-10-18-32(33)36(41)39(35)30-16-8-3-9-17-30/h1-23,35H,24-26H2,(H,37,40)/t35-/m1/s1
InChIKeyYRAVQSOEMGUEJG-PGUFJCEWSA-N
MW553.66 g/mol
LogP6.75
Rot. Bonds9

About N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide

N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide (PubChem CID 126358405) has the molecular formula C36H31N3O3 and a molecular weight of 553.66 g/mol. Its IUPAC name is N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide
PubChem CID126358405
Molecular FormulaC36H31N3O3
Molecular Weight553.66 g/mol
Exact Mass553.24
IUPAC NameN-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide
SMILESO=C(COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C36H31N3O3/c40-34(37-24-27-12-4-1-5-13-27)26-42-31-22-20-29(21-23-31)35-38(25-28-14-6-2-7-15-28)33-19-11-10-18-32(33)36(41)39(35)30-16-8-3-9-17-30/h1-23,35H,24-26H2,(H,37,40)/t35-/m1/s1
InChIKeyYRAVQSOEMGUEJG-PGUFJCEWSA-N
XLogP6.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.66
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[4-[(2S)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]phenoxy]acetate
CID 126176054
(2S)-1-benzyl-3-(4-methylphenyl)-2-[4-(2-methylpropoxy)phenyl]-2H-quinazolin-4-one
CID 126172204
(2S)-1-benzyl-3-phenyl-2-[4-(thietan-3-yloxy)phenyl]-2H-quinazolin-4-one
CID 126345823
[4-[(2R)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]phenyl] benzoate
CID 126187977
methyl 4-[(2R)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]benzoate
CID 126174117
(2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one
CID 126346502
(2S)-1-benzyl-3-(4-methylphenyl)-2-[4-(thietan-3-yloxy)phenyl]-2H-quinazolin-4-one
CID 126174635
(2S)-1-benzyl-3-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-quinazolin-4-one
CID 126185855
(2R)-1-benzyl-2-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-quinazolin-4-one
CID 126183550
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
2-[4-[(2R)-1,3-dibenzyl-6-nitro-4-oxo-2H-quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 126154395
N-(2-chlorophenyl)-2-[4-[(2S)-1,3-dibenzyl-6-nitro-4-oxo-2H-quinazolin-2-yl]phenoxy]acetamide
CID 126134482

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide (CID 126358405) is N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide is O=C(COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide?
The InChIKey is YRAVQSOEMGUEJG-PGUFJCEWSA-N. The full InChI is InChI=1S/C36H31N3O3/c40-34(37-24-27-12-4-1-5-13-27)26-42-31-22-20-29(21-23-31)35-38(25-28-14-6-2-7-15-28)33-19-11-10-18-32(33)36(41)39(35)30-16-8-3-9-17-30/h1-23,35H,24-26H2,(H,37,40)/t35-/m1/s1.
What are the key properties of N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide?
N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide has a molecular weight of 553.66 g/mol, XLogP of 6.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 126358405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).