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

C23H19BrN2O2 — CID 2862068

IUPACmethyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate
SMILESCOC(=O)CN1C(c2ccccc2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C23H19BrN2O2/c1-28-21(27)15-26-22(16-8-4-2-5-9-16)19-14-18(24)12-13-20(19)25-23(26)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3
InChIKeyRSJCKHZEGPQSEV-UHFFFAOYSA-N
MW435.32 g/mol
LogP5.11
Rot. Bonds4

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

methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate (PubChem CID 2862068) has the molecular formula C23H19BrN2O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate
PubChem CID2862068
Molecular FormulaC23H19BrN2O2
Molecular Weight435.32 g/mol
Exact Mass434.06
IUPAC Namemethyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate
SMILESCOC(=O)CN1C(c2ccccc2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C23H19BrN2O2/c1-28-21(27)15-26-22(16-8-4-2-5-9-16)19-14-18(24)12-13-20(19)25-23(26)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3
InChIKeyRSJCKHZEGPQSEV-UHFFFAOYSA-N
XLogP5.11
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate?
The IUPAC name of methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate (CID 2862068) is methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate?
The canonical SMILES for methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate is COC(=O)CN1C(c2ccccc2)=Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate?
The InChIKey is RSJCKHZEGPQSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O2/c1-28-21(27)15-26-22(16-8-4-2-5-9-16)19-14-18(24)12-13-20(19)25-23(26)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3.
What are the key properties of methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate?
methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate has a molecular weight of 435.32 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate is sourced from PubChem (CID 2862068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).