(4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate

C17H14N2O4 — CID 135767194

IUPAC(4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate
SMILESCC(=O)Oc1cc2nc[nH]c(=O)c2cc1OCc1ccccc1
InChIInChI=1S/C17H14N2O4/c1-11(20)23-16-8-14-13(17(21)19-10-18-14)7-15(16)22-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19,21)
InChIKeySFQHQLJDUQVSDB-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.43
Rot. Bonds4

About (4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate

(4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate (PubChem CID 135767194) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate.

Molecular Properties

Compound Name(4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate
PubChem CID135767194
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate
SMILESCC(=O)Oc1cc2nc[nH]c(=O)c2cc1OCc1ccccc1
InChIInChI=1S/C17H14N2O4/c1-11(20)23-16-8-14-13(17(21)19-10-18-14)7-15(16)22-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19,21)
InChIKeySFQHQLJDUQVSDB-UHFFFAOYSA-N
XLogP2.43
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one
CID 136608430
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
[3-benzyl-7-(2-methoxyethoxy)-4-oxoquinazolin-6-yl] acetate
CID 58896728
6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
CID 135830914
6-acetyl-7-methoxy-3H-quinazolin-4-one
CID 137176609
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
[4-(2-fluoro-4-methyl-5-phenylmethoxyanilino)-6-methoxyquinazolin-7-yl] acetate
CID 21260312
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 158662999
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682

Frequently Asked Questions

What is the IUPAC name of (4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate?
The IUPAC name of (4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate (CID 135767194) is (4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate.
What is the SMILES notation for (4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate?
The canonical SMILES for (4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate is CC(=O)Oc1cc2nc[nH]c(=O)c2cc1OCc1ccccc1.
What is the InChIKey of (4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate?
The InChIKey is SFQHQLJDUQVSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-11(20)23-16-8-14-13(17(21)19-10-18-14)7-15(16)22-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19,21).
What are the key properties of (4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate?
(4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate has a molecular weight of 310.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate is sourced from PubChem (CID 135767194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).