ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate

C24H21ClN2O4 — CID 5075674

IUPACethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C1Nc2ccccc2C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C24H21ClN2O4/c1-2-30-22(28)15-31-21-13-6-4-11-19(21)23-26-20-12-5-3-10-18(20)24(29)27(23)17-9-7-8-16(25)14-17/h3-14,23,26H,2,15H2,1H3
InChIKeyHRWZSCUTQLQDGV-UHFFFAOYSA-N
MW436.90 g/mol
LogP5.05
Rot. Bonds6

About ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate

ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate (PubChem CID 5075674) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate
PubChem CID5075674
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Nameethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C1Nc2ccccc2C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C24H21ClN2O4/c1-2-30-22(28)15-31-21-13-6-4-11-19(21)23-26-20-12-5-3-10-18(20)24(29)27(23)17-9-7-8-16(25)14-17/h3-14,23,26H,2,15H2,1H3
InChIKeyHRWZSCUTQLQDGV-UHFFFAOYSA-N
XLogP5.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate (CID 5075674) is ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate is CCOC(=O)COc1ccccc1C1Nc2ccccc2C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate?
The InChIKey is HRWZSCUTQLQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-2-30-22(28)15-31-21-13-6-4-11-19(21)23-26-20-12-5-3-10-18(20)24(29)27(23)17-9-7-8-16(25)14-17/h3-14,23,26H,2,15H2,1H3.
What are the key properties of ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate?
ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate has a molecular weight of 436.90 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate is sourced from PubChem (CID 5075674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).