ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate

C20H20N2O5 — CID 168552428

IUPACethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1c(OC)cccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20N2O5/c1-3-26-17(23)11-12-27-18-14(8-6-10-16(18)25-2)19-21-15-9-5-4-7-13(15)20(24)22-19/h4-10H,3,11-12H2,1-2H3,(H,21,22,24)
InChIKeyFMROEEFCJOSLJW-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.93
Rot. Bonds7

About ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate

ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate (PubChem CID 168552428) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate
PubChem CID168552428
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Nameethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1c(OC)cccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20N2O5/c1-3-26-17(23)11-12-27-18-14(8-6-10-16(18)25-2)19-21-15-9-5-4-7-13(15)20(24)22-19/h4-10H,3,11-12H2,1-2H3,(H,21,22,24)
InChIKeyFMROEEFCJOSLJW-UHFFFAOYSA-N
XLogP2.93
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate with MolForge

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Related Compounds

2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168552065
ethyl 4-[3-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]butanoate
CID 168550872
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551469
2-(2-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 168553618
2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 168552022
2-(2-ethoxyphenyl)-8-methoxy-3H-quinazolin-4-one
CID 135966513
2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
CID 168551471
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
ethyl 3-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]propanoate
CID 168554937
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate?
The IUPAC name of ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate (CID 168552428) is ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate?
The canonical SMILES for ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate is CCOC(=O)CCOc1c(OC)cccc1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate?
The InChIKey is FMROEEFCJOSLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-3-26-17(23)11-12-27-18-14(8-6-10-16(18)25-2)19-21-15-9-5-4-7-13(15)20(24)22-19/h4-10H,3,11-12H2,1-2H3,(H,21,22,24).
What are the key properties of ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate?
ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate has a molecular weight of 368.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate is sourced from PubChem (CID 168552428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).