ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate

C31H28N2O5 — CID 3717295

IUPACethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OC
InChIInChI=1S/C31H28N2O5/c1-3-37-31(35)25-14-8-10-16-28(25)38-20-22-19-21(17-18-27(22)36-2)29-32-26-15-9-7-13-24(26)30(34)33(29)23-11-5-4-6-12-23/h4-19,29,32H,3,20H2,1-2H3
InChIKeyLHDKTTTZATVHSV-UHFFFAOYSA-N
MW508.57 g/mol
LogP6.22
Rot. Bonds8

About ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate

ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate (PubChem CID 3717295) has the molecular formula C31H28N2O5 and a molecular weight of 508.57 g/mol. Its IUPAC name is ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate
PubChem CID3717295
Molecular FormulaC31H28N2O5
Molecular Weight508.57 g/mol
Exact Mass508.20
IUPAC Nameethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OC
InChIInChI=1S/C31H28N2O5/c1-3-37-31(35)25-14-8-10-16-28(25)38-20-22-19-21(17-18-27(22)36-2)29-32-26-15-9-7-13-24(26)30(34)33(29)23-11-5-4-6-12-23/h4-19,29,32H,3,20H2,1-2H3
InChIKeyLHDKTTTZATVHSV-UHFFFAOYSA-N
XLogP6.22
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate with MolForge

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Related Compounds

N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide
CID 2887852
3-(4-chlorophenyl)-2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-1,2-dihydroquinazolin-4-one
CID 23959783
2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3791606
(2S)-3-(4-fluorophenyl)-2-(3-hydroxy-4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007309
(2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006981
2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 4315101
2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 23819494
2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide
CID 46802844
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545
(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007456
ethyl 2-[[2-methoxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]methoxy]benzoate
CID 3847145
2-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenoxy]acetonitrile
CID 9007360

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate?
The IUPAC name of ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate (CID 3717295) is ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate.
What is the SMILES notation for ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate?
The canonical SMILES for ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate is CCOC(=O)c1ccccc1OCc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OC.
What is the InChIKey of ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate?
The InChIKey is LHDKTTTZATVHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O5/c1-3-37-31(35)25-14-8-10-16-28(25)38-20-22-19-21(17-18-27(22)36-2)29-32-26-15-9-7-13-24(26)30(34)33(29)23-11-5-4-6-12-23/h4-19,29,32H,3,20H2,1-2H3.
What are the key properties of ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate?
ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate has a molecular weight of 508.57 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate is sourced from PubChem (CID 3717295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).