[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate

C24H20N2O3 — CID 135745593

IUPAC[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate
SMILESC[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H20N2O3/c1-16(23-25-21-10-6-5-9-20(21)24(28)26-23)29-22(27)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,25,26,28)/t16-/m0/s1
InChIKeyLTULFAIMVRIZTB-INIZCTEOSA-N
MW384.44 g/mol
LogP4.44
Rot. Bonds5

About [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate

[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate (PubChem CID 135745593) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate
PubChem CID135745593
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate
SMILESC[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H20N2O3/c1-16(23-25-21-10-6-5-9-20(21)24(28)26-23)29-22(27)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,25,26,28)/t16-/m0/s1
InChIKeyLTULFAIMVRIZTB-INIZCTEOSA-N
XLogP4.44
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate with MolForge

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate
CID 135744654
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate
CID 135573668
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 135774657
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
CID 135784464
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 135817635
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (3S)-3-phenylbutanoate
CID 135831951
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
CID 135582860
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 135780900
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate
CID 135819391
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(2-methylpropyl)benzoate
CID 135739614
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-acetamidopropanoate
CID 135816941

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate (CID 135745593) is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate is C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is LTULFAIMVRIZTB-INIZCTEOSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16(23-25-21-10-6-5-9-20(21)24(28)26-23)29-22(27)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,25,26,28)/t16-/m0/s1.
What are the key properties of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate?
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 384.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 135745593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).