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

C18H18N2O3 — CID 2857622

IUPACmethyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
SMILESCOC(=O)CN1C(=O)Nc2ccc(C)cc2C1c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-12-8-9-15-14(10-12)17(13-6-4-3-5-7-13)20(18(22)19-15)11-16(21)23-2/h3-10,17H,11H2,1-2H3,(H,19,22)
InChIKeyBTZJKQRWVCDVAM-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.10
Rot. Bonds3

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

methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate (PubChem CID 2857622) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
PubChem CID2857622
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
SMILESCOC(=O)CN1C(=O)Nc2ccc(C)cc2C1c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-12-8-9-15-14(10-12)17(13-6-4-3-5-7-13)20(18(22)19-15)11-16(21)23-2/h3-10,17H,11H2,1-2H3,(H,19,22)
InChIKeyBTZJKQRWVCDVAM-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
The IUPAC name of methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate (CID 2857622) is methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
The canonical SMILES for methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate is COC(=O)CN1C(=O)Nc2ccc(C)cc2C1c1ccccc1.
What is the InChIKey of methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
The InChIKey is BTZJKQRWVCDVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-8-9-15-14(10-12)17(13-6-4-3-5-7-13)20(18(22)19-15)11-16(21)23-2/h3-10,17H,11H2,1-2H3,(H,19,22).
What are the key properties of methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate?
methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate has a molecular weight of 310.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate is sourced from PubChem (CID 2857622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).