methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate

C17H15ClN2O3 — CID 2862110

IUPACmethyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
SMILESCOC(=O)CN1C(=O)Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C17H15ClN2O3/c1-23-15(21)10-20-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(20)22/h2-9,16H,10H2,1H3,(H,19,22)
InChIKeyJRMJFPRLKCGTEW-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.45
Rot. Bonds3

About methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate

methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate (PubChem CID 2862110) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
PubChem CID2862110
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Namemethyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
SMILESCOC(=O)CN1C(=O)Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C17H15ClN2O3/c1-23-15(21)10-20-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(20)22/h2-9,16H,10H2,1H3,(H,19,22)
InChIKeyJRMJFPRLKCGTEW-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
The IUPAC name of methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate (CID 2862110) is methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
The canonical SMILES for methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate is COC(=O)CN1C(=O)Nc2ccc(Cl)cc2C1c1ccccc1.
What is the InChIKey of methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
The InChIKey is JRMJFPRLKCGTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-23-15(21)10-20-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(20)22/h2-9,16H,10H2,1H3,(H,19,22).
What are the key properties of methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate has a molecular weight of 330.77 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate is sourced from PubChem (CID 2862110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).