(4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate

C24H20N2O4 — CID 16573162

IUPAC(4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate
SMILESO=C(CCn1cnc2ccccc2c1=O)Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H20N2O4/c27-23(14-15-26-17-25-22-9-5-4-8-21(22)24(26)28)30-20-12-10-19(11-13-20)29-16-18-6-2-1-3-7-18/h1-13,17H,14-16H2
InChIKeyZIVZPXYCHZJJMF-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.97
Rot. Bonds7

About (4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate

(4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate (PubChem CID 16573162) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate
PubChem CID16573162
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate
SMILESO=C(CCn1cnc2ccccc2c1=O)Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H20N2O4/c27-23(14-15-26-17-25-22-9-5-4-8-21(22)24(26)28)30-20-12-10-19(11-13-20)29-16-18-6-2-1-3-7-18/h1-13,17H,14-16H2
InChIKeyZIVZPXYCHZJJMF-UHFFFAOYSA-N
XLogP3.97
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate
CID 16573083
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 96523727
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
(4-bromophenyl) 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 24592470
(3,4-dimethylphenyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 9097161
oxalic acid;3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]quinazolin-4-one
CID 2924209
2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate
CID 46661027
methyl (2S)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 39723313
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of (4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate (CID 16573162) is (4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for (4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for (4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate is O=C(CCn1cnc2ccccc2c1=O)Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate?
The InChIKey is ZIVZPXYCHZJJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-23(14-15-26-17-25-22-9-5-4-8-21(22)24(26)28)30-20-12-10-19(11-13-20)29-16-18-6-2-1-3-7-18/h1-13,17H,14-16H2.
What are the key properties of (4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate?
(4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate has a molecular weight of 400.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 16573162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).