methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate

C24H22N2O2 — CID 3123254

IUPACmethyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate
SMILESCOC(=O)CN1C(c2ccccc2)=Nc2ccc(C)cc2C1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-17-13-14-21-20(15-17)23(18-9-5-3-6-10-18)26(16-22(27)28-2)24(25-21)19-11-7-4-8-12-19/h3-15,23H,16H2,1-2H3
InChIKeyZMWKHABCFQCHRI-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.65
Rot. Bonds4

About methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate

methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate (PubChem CID 3123254) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate
PubChem CID3123254
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Namemethyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate
SMILESCOC(=O)CN1C(c2ccccc2)=Nc2ccc(C)cc2C1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-17-13-14-21-20(15-17)23(18-9-5-3-6-10-18)26(16-22(27)28-2)24(25-21)19-11-7-4-8-12-19/h3-15,23H,16H2,1-2H3
InChIKeyZMWKHABCFQCHRI-UHFFFAOYSA-N
XLogP4.65
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate?
The IUPAC name of methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate (CID 3123254) is methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate?
The canonical SMILES for methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate is COC(=O)CN1C(c2ccccc2)=Nc2ccc(C)cc2C1c1ccccc1.
What is the InChIKey of methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate?
The InChIKey is ZMWKHABCFQCHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-17-13-14-21-20(15-17)23(18-9-5-3-6-10-18)26(16-22(27)28-2)24(25-21)19-11-7-4-8-12-19/h3-15,23H,16H2,1-2H3.
What are the key properties of methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate?
methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate has a molecular weight of 370.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-2,4-diphenyl-4H-quinazolin-3-yl)acetate is sourced from PubChem (CID 3123254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).