ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate

C18H17BrN2O3 — CID 2862026

IUPACethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
SMILESCCOC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C18H17BrN2O3/c1-2-24-16(22)11-21-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)20-18(21)23/h3-10,17H,2,11H2,1H3,(H,20,23)
InChIKeySRKWSZOCXMRUBK-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.95
Rot. Bonds4

About ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate

ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate (PubChem CID 2862026) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
PubChem CID2862026
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Nameethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
SMILESCCOC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C18H17BrN2O3/c1-2-24-16(22)11-21-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)20-18(21)23/h3-10,17H,2,11H2,1H3,(H,20,23)
InChIKeySRKWSZOCXMRUBK-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetate
CID 2769706
6-bromo-3-(morpholinomethyl)-4-phenylquinolin-2(1H)-one
CID 1162877
2-(6-Bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide
CID 2870271
N-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-2-morpholinoacetamide
CID 1119291
N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide
CID 1119292
6-bromo-3-(4-morpholinyl)-4-phenyl-1H-quinolin-2-one
CID 1119296
Ethyl 2-[[[5-bromo-2-(3-morpholin-4-ylpropanoylamino)phenyl]-phenylmethyl]amino]acetate
CID 2870485
7-bromo-4-(3-morpholin-4-ylpropanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 3131255
ethyl 2-(6-bromo-2-(4-fluorophenyl)-4-phenyl-1,2-dihydroquinazolin-3(4H)-yl)acetate
CID 3840634
Methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
CID 2857622
Methyl 2-(((5-bromo-2-(3-morpholinopropanamido)phenyl)(phenyl)methyl)amino)acetate
CID 2870482
1-Benzyl-3-(4-bromo-2-methylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate (CID 2862026) is ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate is CCOC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
The InChIKey is SRKWSZOCXMRUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-2-24-16(22)11-21-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)20-18(21)23/h3-10,17H,2,11H2,1H3,(H,20,23).
What are the key properties of ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate has a molecular weight of 389.25 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate is sourced from PubChem (CID 2862026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).